Product Name

  • Name

    3-Aminobenzotrifluoride

  • EINECS 202-643-4
  • CAS No. 98-16-8
  • Article Data96
  • CAS DataBase
  • Density 1.286 g/cm3
  • Solubility 5 g/L (20 ºC)
  • Melting Point 5 °C
  • Formula C7H6F3N
  • Boiling Point 187 °C at 760 mmHg
  • Molecular Weight 161.127
  • Flash Point 85 °C
  • Transport Information UN 2948 6.1/PG 2
  • Appearance Clear light yellow liquid
  • Safety 26-36-45-36/37/39-28A
  • Risk Codes 36/37/38-33-23-21/22-26-24-22-20/21/22
  • Molecular Structure Molecular Structure of 98-16-8 (3-Aminobenzotrifluoride)
  • Hazard Symbols IrritantXi,ToxicT,VeryT+,HarmfulXn
  • Synonyms 3-(Trifluoromethyl) aniline;Benzenamine, 3- (trifluoromethyl)-;1/C7H6F3N/c8-7(9,10)5-2-1-3-6(11)4-5/h1-4H,11H;1-Amino-3-(trifluoromethyl)benzene;m-Amino-alpha,alpha,alpha-trifluorotoluene;3-(Trifluoromethyl)benzenamine;4-12-00-01843 (Beilstein Handbook Reference);Toluene, 3-amino-alpha,alpha,alpha-trifluoro-;2-propylpiperidine HCl;m-Chlorotrifluoromethylbenzene;Toluene, 3-amino-.alpha.,.alpha.,.alpha.-trifluoro-,;m-(Trifluoromethyl)aniline;m-Aminobenzal fluoride;alpha,alpha,alpha-Trifluoro-m-toluidine;
  • PSA 26.02000
  • LogP 2.86880

Synthetic route

3-trifluoromethylnitrobenzene
98-46-4

3-trifluoromethylnitrobenzene

3-trifluoromethylaniline
98-16-8

3-trifluoromethylaniline

Conditions
ConditionsYield
With hydrogenchloride; ammonium chloride; zinc In ethanol at 15 - 20℃; for 0.166667h; Irradiation;100%
With hydrogen; nickel In methanol at 100 - 115℃; under 18751.9 - 30003 Torr; for 6h; Large scale;99.9%
With hydrazine hydrate In ethanol for 2.5h; Reflux;98.4%
m-trifluoromethylphenyl iodide
401-81-0

m-trifluoromethylphenyl iodide

3-trifluoromethylaniline
98-16-8

3-trifluoromethylaniline

Conditions
ConditionsYield
With copper(I) oxide; ammonium hydroxide; C17H14N2O3; potassium hydroxide In ethanol at 60℃; for 24h; Schlenk technique; Inert atmosphere;96%
With ammonium hydroxide; caesium carbonate In water for 1.5h; Reflux; Green chemistry;90%
With ammonium hydroxide; caesium carbonate In acetonitrile for 2h; Reflux; Green chemistry;90%
With ammonium hydroxide; potassium phosphate; copper(II) ferrite at 100℃; for 12h; Sealed tube; chemoselective reaction;60%
3-bromo-1-trifluoromethylbenzene
401-78-5

3-bromo-1-trifluoromethylbenzene

3-trifluoromethylaniline
98-16-8

3-trifluoromethylaniline

Conditions
ConditionsYield
With ammonium hydroxide; L-2-O-methyl-chiro-inositol; copper(II) acetate monohydrate In 1-methyl-pyrrolidin-2-one at 110℃; for 12h;95%
With ammonium hydroxide; copper(l) iodide; potassium carbonate; 4R-4-hydroxyproline In dimethyl sulfoxide at 50℃; for 24h;90%
3-(trifluoromethyl)phenyl trifluoromethanesulfonate
199188-30-2

3-(trifluoromethyl)phenyl trifluoromethanesulfonate

3-trifluoromethylaniline
98-16-8

3-trifluoromethylaniline

Conditions
ConditionsYield
Stage #1: 3-(trifluoromethyl)phenyl trifluoromethanesulfonate With bis(bis(trimethylsilyl)amido)zinc(II); tri-tert-butyl phosphine; tetrabutylammomium bromide; bis(dibenzylideneacetone)-palladium(0) In tetrahydrofuran at 50℃; for 6h;
Stage #2: With hydrogenchloride In tetrahydrofuran; diethyl ether		91%
(meta-(trifluoromethyl)phenyl)boronic acid
1423-26-3

(meta-(trifluoromethyl)phenyl)boronic acid

3-trifluoromethylaniline
98-16-8

3-trifluoromethylaniline

Conditions
ConditionsYield
With potassium carbonate; ammonium hydroxide In methanol at 60℃; for 21h;84%
With N-Bromosuccinimide; CYANAMID; bis-[(trifluoroacetoxy)iodo]benzene In acetonitrile at 20℃; for 1h; chemoselective reaction;71%
With N-Bromosuccinimide; N-methoxylamine hydrochloride; bis-[(trifluoroacetoxy)iodo]benzene In acetonitrile at 20℃;66%
3-chlorotrifluoromethylbenzene
98-15-7

3-chlorotrifluoromethylbenzene

3-trifluoromethylaniline
98-16-8

3-trifluoromethylaniline

Conditions
ConditionsYield
With dicyclohexyl(2',4',6'-triisopropyl-5-methoxy-3,4,6-trimethyl-[1,1'-biphenyl]-2-yl)phosphine; C50H70NO4PPdS; C50H70NO4PPdS; dicyclohexyl(2',4',6'-triisopropyl-4-methoxy-3,5,6-trimethyl-[1,1'-biphenyl]-2-yl)phosphine; ammonia; sodium t-butanolate In 1,4-dioxane at 80℃; for 24h; Inert atmosphere;81%
1-nitro-3-(trichloromethyl)benzene
709-58-0

1-nitro-3-(trichloromethyl)benzene

3-trifluoromethylaniline
98-16-8

3-trifluoromethylaniline

Conditions
ConditionsYield
With ammonium bifluoride; aHF In dichloromethane 1.) 68-95 degC, 90-160 psig, 2.) 68-101 degC, 90-118 psig, 3.) 103-117 degC, 190-220 psig;75%
4-(pentafluoroethoxy)nitrobenzene
1743-96-0

4-(pentafluoroethoxy)nitrobenzene

3-trifluoromethylaniline
98-16-8

3-trifluoromethylaniline

Conditions
ConditionsYield
With palladium 10% on activated carbon; hydrogen In methanol71%
3-methyl-2,4-diphenyloxazolium-5-olate
13712-75-9, 165618-44-0

3-methyl-2,4-diphenyloxazolium-5-olate

4-[5-Methylene-3-(3-trifluoromethyl-phenyl)-4,5-dihydro-3H-[1,2,3]triazol-4-yl]-morpholine
104143-76-2

4-[5-Methylene-3-(3-trifluoromethyl-phenyl)-4,5-dihydro-3H-[1,2,3]triazol-4-yl]-morpholine

A

N-benzoyl-N-methylphenylglycine morpholide
34660-89-4

N-benzoyl-N-methylphenylglycine morpholide

B

3-trifluoromethylaniline
98-16-8

3-trifluoromethylaniline

C

1-methyl-2,5-diphenyl-3-pyrrolecarbaldehyde

1-methyl-2,5-diphenyl-3-pyrrolecarbaldehyde

D

1-methyl-2,5-diphenyl-3-<<3-(trifluoromethyl)phenylimino>methyl>pyrrole

1-methyl-2,5-diphenyl-3-<<3-(trifluoromethyl)phenylimino>methyl>pyrrole

Conditions
ConditionsYield
In acetonitrile for 0.5h; Ambient temperature; Further byproducts given;A n/a
B n/a
C 65%
D 10%
...Expand
3-Trifluoromethylphenol
98-17-9

3-Trifluoromethylphenol

3-trifluoromethylaniline
98-16-8

3-trifluoromethylaniline

Conditions
ConditionsYield
Stage #1: 3-Trifluoromethylphenol With Nonafluorobutanesulfonyl fluoride; tris(trimethylsilyl)amine; potassium hexamethylsilazane In tetrahydrofuran at 60℃; for 5h; Schlenk technique; Inert atmosphere;
Stage #2: With hydrogenchloride In water at 20℃; for 0.0833333h; pH=3 - 4;		57%
Multi-step reaction with 2 steps
1.1: 86 percent / K3PO4 / toluene; H2O / 0 - 20 °C
2.1: P(t-Bu)3; Zn[N(SiMe3)2]2; Bu4NBr / Pd(dba)2 / tetrahydrofuran / 6 h / 50 °C
2.2: 91 percent / aq. HCl / tetrahydrofuran; diethyl ether
View Scheme
4-chlorobenzotrifluoride
98-56-6

4-chlorobenzotrifluoride

aniline
62-53-3

aniline

A

3-trifluoromethylaniline
98-16-8

3-trifluoromethylaniline

B

2-(trifluoromethyl)benzenamine
88-17-5

2-(trifluoromethyl)benzenamine

Conditions
ConditionsYield
With 2,3,7,8-tetrafluoro-S-(trifluoromethyl)dibenzothiophenium trifluoromethanesulfonate In N,N-dimethyl-formamide at 30℃; for 3h; Reagent/catalyst; Inert atmosphere;A 23%
B 44%
...Expand
3-oxo-N-(3-trifluoromethylphenyl)butanethioamide

3-oxo-N-(3-trifluoromethylphenyl)butanethioamide

diguanidine carbonate
593-85-1

diguanidine carbonate

A

6-methyl-4-[3-(trifluoromethyl)phenylamino]pyrimidin-2-amine

6-methyl-4-[3-(trifluoromethyl)phenylamino]pyrimidin-2-amine

B

guanidine acetic acid
593-87-3

guanidine acetic acid

C

3-trifluoromethylaniline
98-16-8

3-trifluoromethylaniline

Conditions
ConditionsYield
at 140℃; for 3h;A 40%
B 28%
C 26%
...Expand
3-trifluoromethylnitrobenzene
98-46-4

3-trifluoromethylnitrobenzene

A

3-trifluoromethylaniline
98-16-8

3-trifluoromethylaniline

B

N-<3-(α,α,α-Trifluoromethyl)phenyl>hydroxylamine
38160-76-8

N-<3-(α,α,α-Trifluoromethyl)phenyl>hydroxylamine

Conditions
ConditionsYield
With tetrakis(triphenylphosphine) palladium(0); hydrogen; palladium on activated charcoalA n/a
B 38%
3-trifluoromethylnitrobenzene
98-46-4

3-trifluoromethylnitrobenzene

A

3-trifluoromethylaniline
98-16-8

3-trifluoromethylaniline

B

4-Fluoro-3-trifluoromethylaniline
2357-47-3

4-Fluoro-3-trifluoromethylaniline

Conditions
ConditionsYield
With bismuth; hydrogen fluoride In dichloromethane Yield given;A n/a
B 13%
With bismuth; hydrogen fluoride In dichloromethane Yields of byproduct given;A n/a
B 13%
2-[3-(trifluoromethyl)phenyl]-1H-isoindole-1,3(2H)-dione
314-81-8

2-[3-(trifluoromethyl)phenyl]-1H-isoindole-1,3(2H)-dione

3-trifluoromethylaniline
98-16-8

3-trifluoromethylaniline

Conditions
ConditionsYield
With water; hydrazine hydrate
1-chloro-2-(trifluoromethyl)benzene
88-16-4

1-chloro-2-(trifluoromethyl)benzene

3-trifluoromethylaniline
98-16-8

3-trifluoromethylaniline

Conditions
ConditionsYield
With ammonia; sodium amide
diisobutylamine
110-96-3

diisobutylamine

1,3-bis(m-α,α,α-trifluorotolyl)urea
403-96-3

1,3-bis(m-α,α,α-trifluorotolyl)urea

A

1,1-Diisobutyl-3-(3-trifluoromethyl-phenyl)-urea

1,1-Diisobutyl-3-(3-trifluoromethyl-phenyl)-urea

B

3-trifluoromethylaniline
98-16-8

3-trifluoromethylaniline

Conditions
ConditionsYield
In 1,2-dichloro-benzene at 119.6℃; Equilibrium constant; Thermodynamic data; various temperatures; ΔHe, ΔSe;
In 1,2-dichloro-benzene at 141.9℃; Kinetics; Thermodynamic data; Mechanism; ΔH(excit.), ΔS(excit.); other temperature;
...Expand
1,3-bis(m-α,α,α-trifluorotolyl)urea
403-96-3

1,3-bis(m-α,α,α-trifluorotolyl)urea

A

3-trifluoromethylaniline
98-16-8

3-trifluoromethylaniline

B

phenyl isocyanate
103-71-9

phenyl isocyanate

Conditions
ConditionsYield
at 130 - 200℃; Thermodynamic data; ΔH; heat of dissociation;
(3-Trifluoromethyl-phenyl)-carbamic acid 2-piperidin-1-yl-ethyl ester; hydrochloride
117855-64-8

(3-Trifluoromethyl-phenyl)-carbamic acid 2-piperidin-1-yl-ethyl ester; hydrochloride

A

1-piperidinoethanol
3040-44-6

1-piperidinoethanol

B

3-trifluoromethylaniline
98-16-8

3-trifluoromethylaniline

Conditions
ConditionsYield
With water In ethanol at 40 - 70℃; Rate constant; Thermodynamic data; Kinetics;
C9H10F3NS*ClH
97731-98-1

C9H10F3NS*ClH

A

dimethylsulfide
75-18-3

dimethylsulfide

B

3-trifluoromethylaniline
98-16-8

3-trifluoromethylaniline

Conditions
ConditionsYield
With iodide; hydrogen cation In water at 25℃; Rate constant; pH dependence (pH = 0.5-3.0), μ = 1.0 with KCl;
bis(trifluoromethyl)tellurium
55642-42-7

bis(trifluoromethyl)tellurium

aniline
62-53-3

aniline

A

4-trifluoromethylphenylamine
455-14-1

4-trifluoromethylphenylamine

B

3-trifluoromethylaniline
98-16-8

3-trifluoromethylaniline

C

2-(trifluoromethyl)benzenamine
88-17-5

2-(trifluoromethyl)benzenamine

Conditions
ConditionsYield
In N,N-dimethyl-formamide at 140℃; for 60h; Title compound not separated from byproducts;A 24 % Spectr.
B 21 % Spectr.
C 21 % Spectr.
...Expand
11.11.11-trifluoro-3-nitro-toluene

11.11.11-trifluoro-3-nitro-toluene

3-trifluoromethylaniline
98-16-8

3-trifluoromethylaniline

Conditions
ConditionsYield
With hydrogenchloride; ethanol; tin(ll) chloride
ammonia
7664-41-7

ammonia

sodium amide

sodium amide

1-chloro-2-(trifluoromethyl)benzene
88-16-4

1-chloro-2-(trifluoromethyl)benzene

3-trifluoromethylaniline
98-16-8

3-trifluoromethylaniline

...Expand
ammonia
7664-41-7

ammonia

sodium amide

sodium amide

4-chlorobenzotrifluoride
98-56-6

4-chlorobenzotrifluoride

A

4-trifluoromethylphenylamine
455-14-1

4-trifluoromethylphenylamine

B

3-trifluoromethylaniline
98-16-8

3-trifluoromethylaniline

...Expand
hydrogenchloride
7647-01-0

hydrogenchloride

1,2-bis((3-trifluoromethyl)phenyl)diazene
588-00-1

1,2-bis((3-trifluoromethyl)phenyl)diazene

tin (II)-chloride

tin (II)-chloride

3-trifluoromethylaniline
98-16-8

3-trifluoromethylaniline

...Expand
1,1,1,3,3,3-hexamethyl-2-(3-trifluoromethyl-phenyl)-disilazane

1,1,1,3,3,3-hexamethyl-2-(3-trifluoromethyl-phenyl)-disilazane

3-trifluoromethylaniline
98-16-8

3-trifluoromethylaniline

Conditions
ConditionsYield
With hydrogenchloride In diethyl ether
N-(3-trifluoromethylphenyl)urea
13114-87-9

N-(3-trifluoromethylphenyl)urea

3-trifluoromethylaniline
98-16-8

3-trifluoromethylaniline

Conditions
ConditionsYield
With sulfuric acid In methanol; water at 80 - 90℃; Kinetics; Further Variations:; Temperatures;
N-(3-trifluoromethylphenyl)urea
13114-87-9

N-(3-trifluoromethylphenyl)urea

A

carbamic Acid
463-77-4

carbamic Acid

B

3-trifluoromethylaniline
98-16-8

3-trifluoromethylaniline

Conditions
ConditionsYield
With sodium hydroxide In methanol; water at 90℃; Kinetics; Further Variations:; Temperatures; pH-values;
octanol
111-87-5

octanol

1,3-bis(m-α,α,α-trifluorotolyl)urea
403-96-3

1,3-bis(m-α,α,α-trifluorotolyl)urea

A

3-trifluoromethylaniline
98-16-8

3-trifluoromethylaniline

B

(3-trifluoromethyl-phenyl)-carbamic acid octyl ester

(3-trifluoromethyl-phenyl)-carbamic acid octyl ester

Conditions
ConditionsYield
at 118.85 - 152.25℃; Kinetics; Activation energy;
...Expand
3-trifluoromethylaniline
98-16-8

3-trifluoromethylaniline

diethyl 2-ethoxymethylenemalonate
87-13-8

diethyl 2-ethoxymethylenemalonate

diethyl 2-({[3-(trifluoromethyl)phenyl]amino}methylidene)propanedioate
370-35-4

diethyl 2-({[3-(trifluoromethyl)phenyl]amino}methylidene)propanedioate

Conditions
ConditionsYield
at 90 - 110℃; for 1h;100%
In ethanol at 90℃; for 18h;100%
In toluene at 110℃; for 24h;98%
3-trifluoromethylaniline
98-16-8

3-trifluoromethylaniline

Ethyl oxalyl chloride
4755-77-5

Ethyl oxalyl chloride

ethyl 2-oxo-2-((3-(trifluoromethyl)phenyl)amino)acetate
17738-86-2

ethyl 2-oxo-2-((3-(trifluoromethyl)phenyl)amino)acetate

Conditions
ConditionsYield
With triethylamine In ethyl acetate at 0 - 19℃; for 2.5h; Product distribution / selectivity;100%
With triethylamine In dichloromethane at 0℃; for 0.166667h; Product distribution / selectivity;99%
With triethylamine In dichloromethane for 0.166667h; Cooling;99%
3-trifluoromethylaniline
98-16-8

3-trifluoromethylaniline

2-Bromoacetyl bromide
598-21-0

2-Bromoacetyl bromide

2-bromo-N-(3′-(trifluoromethyl)phenyl)acetamide
25625-57-4

2-bromo-N-(3′-(trifluoromethyl)phenyl)acetamide

Conditions
ConditionsYield
In dichloromethane at 10 - 20℃; for 1.58333h;100%
Stage #1: 3-trifluoromethylaniline; 2-Bromoacetyl bromide In dichloromethane at 10 - 20℃; for 1.58333h;
Stage #2: With sodium hydrogencarbonate In dichloromethane for 0.666667h;		100%
Stage #1: 3-trifluoromethylaniline; 2-Bromoacetyl bromide In dichloromethane at 10 - 20℃; for 1.58333h;
Stage #2: With sodium hydrogencarbonate In dichloromethane; water for 0.833333h;		100%
3-trifluoromethylaniline
98-16-8

3-trifluoromethylaniline

trifluoroacetic anhydride
407-25-0

trifluoroacetic anhydride

2,2,2-trifluoro-N-(3-(trifluoromethyl)phenyl)acetamide
2946-73-8

2,2,2-trifluoro-N-(3-(trifluoromethyl)phenyl)acetamide

Conditions
ConditionsYield
With triethylamine In 2-methyltetrahydrofuran100%
Stage #1: 3-trifluoromethylaniline; trifluoroacetic anhydride With pyridine In dichloromethane at 0 - 20℃;
Stage #2: With sodium hydrogencarbonate In dichloromethane		98%
In N,N-dimethyl-formamide for 48h; Ambient temperature;70%
With triethylamine In tetrahydrofuran at 0 - 20℃;51.1%
In dichloromethane
3-trifluoromethylaniline
98-16-8

3-trifluoromethylaniline

3-tert-Butyl-1-methyl-1H-pyrazole-5-carbonyl chloride
160842-62-6

3-tert-Butyl-1-methyl-1H-pyrazole-5-carbonyl chloride

5-tert-Butyl-2-methyl-2H-pyrazole-3-carboxylic acid (3-trifluoromethyl-phenyl)-amide

5-tert-Butyl-2-methyl-2H-pyrazole-3-carboxylic acid (3-trifluoromethyl-phenyl)-amide

Conditions
ConditionsYield
With pyridine In dichloromethane Ambient temperature;100%
diphenylmethylenecyclopropene
7632-57-7

diphenylmethylenecyclopropene

3-trifluoromethylaniline
98-16-8

3-trifluoromethylaniline

[N,N-di-(1,1-diphenyl-1-butenyl)-3-(trifluoromethyl)]aniline

[N,N-di-(1,1-diphenyl-1-butenyl)-3-(trifluoromethyl)]aniline

Conditions
ConditionsYield
With tin(II) trifluoromethanesulfonate In 1,2-dichloro-ethane at 85℃; for 24h;100%
3-trifluoromethylaniline
98-16-8

3-trifluoromethylaniline

benzaldehyde
100-52-7

benzaldehyde

[bis(p-tolyl)methylene]cyclopropane

[bis(p-tolyl)methylene]cyclopropane

7-trifluoromethyl-4,4-bis-(4-methylphenyl)-2-phenyl-1,2,3,4-tetrahydrospiro-(3,1'-cyclopropyl)-quinoline

7-trifluoromethyl-4,4-bis-(4-methylphenyl)-2-phenyl-1,2,3,4-tetrahydrospiro-(3,1'-cyclopropyl)-quinoline

Conditions
ConditionsYield
Stage #1: 3-trifluoromethylaniline; benzaldehyde With magnesium sulfate In acetonitrile at 20℃; for 2h;
Stage #2: [bis(p-tolyl)methylene]cyclopropane; Montmorillonite KSF In acetonitrile at 20℃; for 64h; aza-Diels-Alder reaction; Further stages.;		100%
...Expand
3-trifluoromethylaniline
98-16-8

3-trifluoromethylaniline

[bis(p-tolyl)methylene]cyclopropane

[bis(p-tolyl)methylene]cyclopropane

[N,N-di-(4,4-di-p-tolylbut-3-enyl)-3-(trifluoromethyl)]aniline

[N,N-di-(4,4-di-p-tolylbut-3-enyl)-3-(trifluoromethyl)]aniline

Conditions
ConditionsYield
With tin(II) trifluoromethanesulfonate In 1,2-dichloro-ethane at 85℃; for 5h;100%
With tin(II) trifluoromethanesulfonate; carbon dioxide; perfluorotoluene at 65℃; under 75006 Torr; for 24h;85%
(5-trimethylsilanyl)furan-2-carbaldehyde
13529-06-1

(5-trimethylsilanyl)furan-2-carbaldehyde

3-trifluoromethylaniline
98-16-8

3-trifluoromethylaniline

N-(5-trimethylsilyl-2-furylmethylidene)-3-trifluoromethylaniline

N-(5-trimethylsilyl-2-furylmethylidene)-3-trifluoromethylaniline

Conditions
ConditionsYield
With 4 A molecular sieve In benzene at 20℃; for 20h;100%
pent-4-enoyl chloride
39716-58-0

pent-4-enoyl chloride

3-trifluoromethylaniline
98-16-8

3-trifluoromethylaniline

pent-4-enoic acid [3-(trifluoromethyl)phenyl]amide
632326-60-4

pent-4-enoic acid [3-(trifluoromethyl)phenyl]amide

Conditions
ConditionsYield
With pyridine; dmap In dichloromethane at 0 - 20℃;100%
ammonium thiocyanate
1147550-11-5

ammonium thiocyanate

3-trifluoromethylaniline
98-16-8

3-trifluoromethylaniline

C17H13F3N2O3S
953428-83-6

C17H13F3N2O3S

Conditions
ConditionsYield
Stage #1: 2,3-dihydro-1,4-benzodioxine-6-carbonyl chloride; ammonium thiocyanate In iso-propanone at 20℃; for 0.25h; Heating / reflux;
Stage #2: 3-trifluoromethylaniline In iso-propanone for 0.5h; Heating / reflux;		100%
methyl 2-bromo-4-nitrobenzoate
100959-22-6

methyl 2-bromo-4-nitrobenzoate

3-trifluoromethylaniline
98-16-8

3-trifluoromethylaniline

methyl 4-nitro-2-[(3-trifluoromethylphenyl)amino]benzoate
1019854-32-0

methyl 4-nitro-2-[(3-trifluoromethylphenyl)amino]benzoate

Conditions
ConditionsYield
With caesium carbonate; bis[2-(diphenylphosphino)phenyl] ether; palladium diacetate In toluene at 100℃; for 4h; Hartwig-Buchwald coupling;100%
carbon disulfide
75-15-0

carbon disulfide

3-trifluoromethylaniline
98-16-8

3-trifluoromethylaniline

1,3-bis(3-(trifluoromethyl)phenyl)thiourea
637-19-4

1,3-bis(3-(trifluoromethyl)phenyl)thiourea

Conditions
ConditionsYield
With dmap In ethanol for 6h; Reflux;100%
With dmap In ethanol for 18h; Reflux;
1-bromo-3,4,5-trimethoxybenzene
2675-79-8

1-bromo-3,4,5-trimethoxybenzene

3-trifluoromethylaniline
98-16-8

3-trifluoromethylaniline

N-(3-trifluoromethylphenyl)-3,4,5-trimethoxyaniline
1203581-78-5

N-(3-trifluoromethylphenyl)-3,4,5-trimethoxyaniline

Conditions
ConditionsYield
With di-tert-butyl(2,2-diphenyl-1-methyl-1-cyclopropyl)phosphine; bis(η3-allyl-μ-chloropalladium(II)); potassium tert-butylate In water at 20℃; for 3h; Inert atmosphere; Micellar solution;100%
6-bromo-4-chlorothiopheno[3,2-D]pyrimidine
225385-03-5

6-bromo-4-chlorothiopheno[3,2-D]pyrimidine

3-trifluoromethylaniline
98-16-8

3-trifluoromethylaniline

6-bromo-N-(3-(trifluoromethyl)phenyl)thieno[3,2-d]pyrimidin-4-amine
1228102-70-2

6-bromo-N-(3-(trifluoromethyl)phenyl)thieno[3,2-d]pyrimidin-4-amine

Conditions
ConditionsYield
In 1,2-dichloro-ethane; tert-butyl alcohol for 20h; Reflux;100%
3-trifluoromethylaniline
98-16-8

3-trifluoromethylaniline

N-[(tert-butoxy)carbonyl]piperidine-4-carboxylic acid
84358-13-4

N-[(tert-butoxy)carbonyl]piperidine-4-carboxylic acid

tert-butyl 4-((3-(trifluoromethyl)phenyl)carbamoyl)piperidine-1-carboxylate

tert-butyl 4-((3-(trifluoromethyl)phenyl)carbamoyl)piperidine-1-carboxylate

Conditions
ConditionsYield
With O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate; N-ethyl-N,N-diisopropylamine In N,N-dimethyl-formamide at 50℃; for 16h;100%
3-trifluoromethylaniline
98-16-8

3-trifluoromethylaniline

1-Adamantanecarbonyl chloride
2094-72-6

1-Adamantanecarbonyl chloride

N-[3-(trifluoromethyl)phenyl]adamantane-1-carboxamide
42600-84-0

N-[3-(trifluoromethyl)phenyl]adamantane-1-carboxamide

Conditions
ConditionsYield
With triethylamine In acetone at 90℃; for 3h; Inert atmosphere;100%
acetic anhydride
108-24-7

acetic anhydride

3-trifluoromethylaniline
98-16-8

3-trifluoromethylaniline

N-acetyl-3-trifluoromethylbenzenamine
351-36-0

N-acetyl-3-trifluoromethylbenzenamine

Conditions
ConditionsYield
In tetrahydrofuran at 60℃; for 1h; Concentration; Solvent; Temperature;99.7%
With melamine-N2,N4,N6-trisulfonic acid In dichloromethane at 20℃; for 0.316667h;95%
With dmap; triethylamine In dichloromethane at 20℃; for 12h;86%
3-trifluoromethylaniline
98-16-8

3-trifluoromethylaniline

N-acetyl-3-trifluoromethylbenzenamine
351-36-0

N-acetyl-3-trifluoromethylbenzenamine

Conditions
ConditionsYield
With acetic anhydride In acetic acid99%
3-trifluoromethylaniline
98-16-8

3-trifluoromethylaniline

5-(4-Chloro-benzoyl)-2-phenyl-2H-pyrazole-3,4-dione
140939-06-6

5-(4-Chloro-benzoyl)-2-phenyl-2H-pyrazole-3,4-dione

4-(4-chloro-phenyl)-2,4-dioxo-3-(phenyl-hydrazono)-N-(3-trifluoromethyl-phenyl)-butyramide

4-(4-chloro-phenyl)-2,4-dioxo-3-(phenyl-hydrazono)-N-(3-trifluoromethyl-phenyl)-butyramide

Conditions
ConditionsYield
In toluene Ring cleavage; acylation; Heating;99%
1-Hydroxymethyl-1H-benzotriazole
28539-02-8

1-Hydroxymethyl-1H-benzotriazole

3-trifluoromethylaniline
98-16-8

3-trifluoromethylaniline

benzotriazol-1-ylmethyl-(3-trifluoromethyl-phenyl)-amine

benzotriazol-1-ylmethyl-(3-trifluoromethyl-phenyl)-amine

Conditions
ConditionsYield
In ethanol Heating;99%
formaldehyd
50-00-0

formaldehyd

3-trifluoromethylaniline
98-16-8

3-trifluoromethylaniline

1,3,5-tris(3-(trifluoromethyl)phenyl)-1,3,5-triazinane

1,3,5-tris(3-(trifluoromethyl)phenyl)-1,3,5-triazinane

Conditions
ConditionsYield
In water for 0.05h; microwave irradiation;99%
In water at 20℃; for 0.333333h; Ionic liquid; Green chemistry;92%
3-trifluoromethylaniline
98-16-8

3-trifluoromethylaniline

diphenyl acetylene
501-65-5

diphenyl acetylene

phenyl benzyl ketone
451-40-1

phenyl benzyl ketone

Conditions
ConditionsYield
Stage #1: 3-trifluoromethylaniline; diphenyl acetylene; [(dppe)Pd(H2O)2](OTf)2 In 1,4-dioxane at 80℃; for 46h;
Stage #2: With silica gel In dichloromethane at 20℃; for 2h;		99%
3-trifluoromethylaniline
98-16-8

3-trifluoromethylaniline

ethyl chlorocarbonylacetate
36239-09-5

ethyl chlorocarbonylacetate

ethyl 3-oxo-3-{[3-(trifluoromethyl)phenyl]amino}propanoate
15386-86-4

ethyl 3-oxo-3-{[3-(trifluoromethyl)phenyl]amino}propanoate

Conditions
ConditionsYield
With triethylamine In acetone at 20℃;99%
With triethylamine In acetone at 0 - 20℃;99%
With triethylamine In acetone at 20℃;99%
(6S)-4-methoxy-6-[(2,2,2-trifluoroacetyl)amino]-5,6,7,8-tetrahydronaphthalene-1-sulfonyl chloride
916222-26-9

(6S)-4-methoxy-6-[(2,2,2-trifluoroacetyl)amino]-5,6,7,8-tetrahydronaphthalene-1-sulfonyl chloride

3-trifluoromethylaniline
98-16-8

3-trifluoromethylaniline

2,2,2-trifluoro-N-[(2S)-8-methoxy-5-({[3-(trifluoromethyl)phenyl]amino}sulfonyl)-1,2,3,4-tetrahydronaphthalen-2-yl]acetamide
916222-69-0

2,2,2-trifluoro-N-[(2S)-8-methoxy-5-({[3-(trifluoromethyl)phenyl]amino}sulfonyl)-1,2,3,4-tetrahydronaphthalen-2-yl]acetamide

Conditions
ConditionsYield
With pyridine In dichloromethane for 16h;99%
3-chloro-3-oxopropanoic acid methyl ester
37517-81-0

3-chloro-3-oxopropanoic acid methyl ester

3-trifluoromethylaniline
98-16-8

3-trifluoromethylaniline

methyl 3-oxo-3-(3-(trifluoromethyl)phenylamino)propanoate
106109-76-6

methyl 3-oxo-3-(3-(trifluoromethyl)phenylamino)propanoate

Conditions
ConditionsYield
In dichloromethane at 20℃; for 0.0833333h;99%
With sodium hydrogencarbonate In Isopropyl acetate at 5 - 20℃; Product distribution / selectivity; Industry scale;91%
With sodium hydrogencarbonate In Isopropyl acetate at -10 - 10℃;91%
With triethylamine In acetone at 0℃; for 2h;71%
With triethylamine In dichloromethane at 0 - 20℃; for 0.166667h;
2-({2-[(cyclopropylcarbonyl)amino]imidazo[1,2-b]pyridazin-6-yl}thio)benzoic acid
1005785-02-3

2-({2-[(cyclopropylcarbonyl)amino]imidazo[1,2-b]pyridazin-6-yl}thio)benzoic acid

3-trifluoromethylaniline
98-16-8

3-trifluoromethylaniline

HATU
200731-31-3, 148893-10-1

HATU

2-({2-[(cyclopropylcarbonyl)amino]imidazo[1,2-b]pyridazin-6-yl}thio)-N-[3-(trifluoromethyl)phenyl]benzamide
1005787-55-2

2-({2-[(cyclopropylcarbonyl)amino]imidazo[1,2-b]pyridazin-6-yl}thio)-N-[3-(trifluoromethyl)phenyl]benzamide

Conditions
ConditionsYield
With N-ethyl-N,N-diisopropylamine In N,N-dimethyl-formamide99%
...Expand
3-trifluoromethylaniline
98-16-8

3-trifluoromethylaniline

5-acetyl-2-(trifluoro-methyl-sulfonyloxy)-benzoic acid,methyl ester
343338-97-6

5-acetyl-2-(trifluoro-methyl-sulfonyloxy)-benzoic acid,methyl ester

5-acetyl-2-(3-(trifluoromethyl)phenylamino)benzoic acid methyl ester
1359967-83-1

5-acetyl-2-(3-(trifluoromethyl)phenylamino)benzoic acid methyl ester

Conditions
ConditionsYield
With palladium diacetate; caesium carbonate; 2,2'-bis-(diphenylphosphino)-1,1'-binaphthyl In toluene at 20 - 120℃; Buchwald-Hartwig reaction; Inert atmosphere;99%
3-trifluoromethylaniline
98-16-8

3-trifluoromethylaniline

3-trifluoromethylphenylazide
22001-17-8

3-trifluoromethylphenylazide

Conditions
ConditionsYield
Stage #1: 3-trifluoromethylaniline With hydrogenchloride; sodium nitrite In water at 0℃; for 0.166667h;
Stage #2: With sodium azide In water at 20℃;		99%
Stage #1: 3-trifluoromethylaniline With hydrogenchloride; sodium nitrite In water at 0℃; for 2h;
Stage #2: With sodium azide In water at 0 - 20℃;		89%
Stage #1: 3-trifluoromethylaniline With hydrogenchloride; sodium nitrite In water at 0℃; for 2h;
Stage #2: With sodium azide In water at 0℃; for 2h;		89%

3-Aminobenzotrifluoride Chemical Properties

Molecular formula: C7H6F3N
Molecular Weight:161.12
vapor pressure:  0.3 mm Hg ( 20 °C)
refractive index  :n20/D 1.480(lit.)
m-AMINOBENZAL FLUORIDE,It is often Clear light yellow liquid, Soluble in water:5 g/L (20 oC),mp is about 5 °C ,bp : 187 °C(lit.);density:1.303 Fp  :185 °F.

3-Aminobenzotrifluoride Uses

Main useage of m-AMINOBENZAL FLUORIDE :fluometuron,fluorochloridone.

3-Aminobenzotrifluoride Toxicity Data With Reference

1.   

orl-rat LD50:480 mg/kg

   85GMAT    Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure Izmerov, N.F., et al.,Moscow.: USSR, Centre of International Projects, GKNT,1982,20.
2.   

unr-rat LD50:480 g/kg

   TPKVAL    Toksikologiya Novykh Promyshlennykh Khimicheskikh Veshchestv. Toxicology of New Industrial Chemical Sciences. 14 (1975),118.
3.   

orl-rbt LD50:615 mg/kg

   85GMAT    Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure Izmerov, N.F., et al.,Moscow.: USSR, Centre of International Projects, GKNT,1982,20.
4.   

unk-rat LD50:480 mg/kg

   TPKVAL    Toksikologiya Novykh Promyshlennykh Khimicheskikh Veshchestv. Toxicology of New Industrial Chemical Sciences. 14 (1975),118.
5.   

ihl-rat LC50:440 mg/m3/4H

   TPKVAL    Toksikologiya Novykh Promyshlennykh Khimicheskikh Veshchestv. Toxicology of New Industrial Chemical Sciences. 10 (1968),131.
6.   

orl-mus LD50:220 mg/kg

   TPKVAL    Toksikologiya Novykh Promyshlennykh Khimicheskikh Veshchestv. Toxicology of New Industrial Chemical Sciences. 10 (1968),131.
7.   

ihl-mus LC50:690 mg/m3/2H

   TPKVAL    Toksikologiya Novykh Promyshlennykh Khimicheskikh Veshchestv. Toxicology of New Industrial Chemical Sciences. 10 (1968),131.
8.   

ipr-mus LD50:50 mg/kg

   NTIS**    National Technical Information Service. (Springfield, VA 22161) (Formerly U.S. Clearinghouse for Scientific and Technical Information) AD277-689 .
RTECS : XU9180000

3-Aminobenzotrifluoride Consensus Reports

EPA Extremely Hazardous Substances List. Reported in EPA TSCA Inventory.

3-Aminobenzotrifluoride Safety Profile

Poison by inhalation, ingestion, and intraperitoneal routes. May be moderately toxic by other routes. See also AMINES and FLUORIDES. When heated to decomposition it emits very toxic fumes of F− and NOx.

m-AMINOBENZAL FLUORIDE'Hazard Codes :  Xi,  Xn T,T+, 
m-AMINOBENZAL FLUORIDE's Risk Statements :
36/37/38:Irritating to eyes, respiratory system and skin 
23:Toxic by inhalation 
33:Danger of cumulative effects 
21/22:Harmful in contact with skin and if swallowed 
20/21/22:Harmful by inhalation, in contact with skin and if swallowed 
m-AMINOBENZAL FLUORIDE's Safety Statements :  26-36-45-36/37/39-28A
26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice 
36:Wear suitable protective clothing 
45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) 
36/37/39:Wear suitable protective clothing, gloves and eye/face protection 
RIDADR:   UN 2948 6.1/PG 2

3-Aminobenzotrifluoride Standards and Recommendations

DOT Classification:  6.1; Label: Poison

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