2-Aminobenzotrifluoride supplier

Name
2-Aminobenzotrifluoride
EINECS 201-806-7
CAS No. 88-17-5
Article Data59
CAS DataBase
Density 1.286 g/cm³
Solubility 4 g/L (20 °C) in water
Melting Point 34 °C(lit.)
Formula C₇H₆F₃N
Boiling Point 174.8 °C at 760 mmHg
Molecular Weight 161.127
Flash Point 55 °C
Transport Information UN 2942 6.1/PG 3
Appearance clear colorless to light amber liquid
Safety 36/37/39-45-37/39-26-16-36
Risk Codes 10-23/24/25-33-36/37/38-22-20/21/22
Molecular Structure
Hazard Symbols T, Xi, Xn, F
Synonyms 2-Aminotrifluorotoluene;2-Aminobenzotrifluoroide;O-Trifluoromethyl Aniline;Benzenamine, 2- (trifluoromethyl)-;alpha,alpha,alpha-Trifluoro-o-toluidine;2-(Trifluoromethyl)aniline;o-Toluidine, alpha,alpha,alpha-trifluoro- (8CI);2,4-Dichlorotrifluoromethylbenzene;.alpha.,.alpha.,.alpha.-Trifluoro-o-toluidine;o-Aminobenzotrifluoride;o-Trifluoromethylaniline;2-Trifluoromethylaniline;o-(Trifluoromethyl)aniline;Benzenamine, 2-(trifluoromethyl)-;2-Aminotrifluoromethylbenzene;2/o-Aminobenzotrifluoride;2-Trifluoromethyl aniline;α,α,α-trifluoro-o-toluidine;2-(trifluoromethyl)-Benzenamine;
PSA 26.02000
LogP 2.86880

Synthetic route

: 344-62-7
N-[2-(trifluoromethyl)phenyl]acetamide

: 88-17-5
2-(trifluoromethyl)benzenamine

Conditions

Conditions	Yield
With thionyl chloride In methanol at 75℃; for 3h;	94%

: 81290-20-2
(trifluoromethyl)trimethylsilane

: 62-53-3
aniline

: 88-17-5
2-(trifluoromethyl)benzenamine

Conditions

Conditions	Yield
With 1-acetoxy-1,2-benziodoxol-3-one; potassium acetate In acetonitrile at 80℃; for 13h; Reagent/catalyst; Solvent; Temperature; Time;	89%

: 384-22-5
2-nitrobenzotrifluoride

: 88-17-5
2-(trifluoromethyl)benzenamine

Conditions

Conditions	Yield
With 1,3-dimethyl-2-imidazolidinone; sodium trimethylsilanethiolate at 185℃; for 24h;	87%
With sodium hydrogensulfide; sodium hydrogencarbonate In methanol; water for 0.5h; Heating;	68%
In water at 31 - 35℃; for 48h; reduction with baker's yeast (Saccharomyces cerevisiae);	66%

: N-(2-(trifluoromethyl)phenyl)picolinamide

: 88-17-5
2-(trifluoromethyl)benzenamine

Conditions

Conditions	Yield
With hydrogenchloride In ethanol	85%
With hydrogenchloride In ethanol at 100℃; for 12h;	1.13 g
With hydrogenchloride In ethanol Reflux;

: 81290-20-2
(trifluoromethyl)trimethylsilane

: 615-36-1
2-bromoaniline

: 88-17-5
2-(trifluoromethyl)benzenamine

Conditions

Conditions	Yield
With bis[chloro(1,2,3-trihapto-allylbenzene)palladium(II)]; dicyclohexyl-(2′,4′,6′-triisopropyl-3,6-dimethoxy-[1,1′-biphenyl]-2-yl)phosphine; sodium dodecyl-sulfate; cesium fluoride In toluene at 110℃; for 12h; Inert atmosphere;	70%

: 887144-94-7
Togni's reagent II

: 62-53-3
aniline

A: 455-14-1
4-trifluoromethylphenylamine

B: 88-17-5
2-(trifluoromethyl)benzenamine

Conditions

Conditions	Yield
With potassium carbonate In acetonitrile at 75℃; for 6h; Schlenk technique; Inert atmosphere;	A 20% B 66%
With potassium carbonate; nickel(II) hydroxide In dimethyl sulfoxide at 35℃; for 2h; Reagent/catalyst; Solvent; Temperature; Overall yield = 89 %;	A 20% B 61%
With potassium carbonate; nickel(II) hydroxide In dimethyl sulfoxide at 35℃; for 2h; Reagent/catalyst; Solvent; Inert atmosphere;	A 20% B 49%

...Expand

: 2314-97-8
iodotrifluoromethane

: 62-53-3
aniline

A: 455-14-1
4-trifluoromethylphenylamine

B: 88-17-5
2-(trifluoromethyl)benzenamine

Conditions

Conditions	Yield
With fac-tris(2-phenylpyridinato-N,C2')iridium(III); potassium carbonate In 1,2-dichloro-ethane at 20℃; for 24h; Inert atmosphere; Schlenk technique; Irradiation; regioselective reaction;	A 34% B 54%
With sulfuric acid; dihydrogen peroxide; iron(II) sulfate; dimethyl sulfoxide In water at 40 - 50℃; for 0.333333h;	A 7.2 %Spectr. B 8.5 %Spectr.
With dihydrogen peroxide; iron(II) sulfate In water; dimethyl sulfoxide	A 13 %Spectr. B 22 %Spectr.

...Expand

: 1548-68-1
1-azido-2-(trifluoromethyl)benzene

A: 90701-87-4
2-methoxy-3-trifluoromethyl-3H-azepine

B: 88-17-5
2-(trifluoromethyl)benzenamine

Conditions

Conditions	Yield
In tetrahydrofuran; methanol for 15h; Irradiation;	A 49% B 5%

: 2,3,7,8-tetrafluoro-S-(trifluoromethyl)dibenzothiophenium trifluoromethanesulfonate

: 62-53-3
aniline

A: 455-14-1
4-trifluoromethylphenylamine

B: 88-17-5
2-(trifluoromethyl)benzenamine

Conditions

Conditions	Yield
In N,N-dimethyl-formamide at 30℃; for 3h; Inert atmosphere;	A 23% B 44%

...Expand

: 98-56-6
4-chlorobenzotrifluoride

: 62-53-3
aniline

A: 98-16-8
3-trifluoromethylaniline

B: 88-17-5
2-(trifluoromethyl)benzenamine

Conditions

Conditions	Yield
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

: 129922-39-0
3,7-dinitro-Se-(trifluoromethyl)dibenzoselenophenium triflate

: 62-53-3
aniline

A: 455-14-1
4-trifluoromethylphenylamine

B: 88-17-5
2-(trifluoromethyl)benzenamine

Conditions

Conditions	Yield
In N,N-dimethyl-formamide for 0.5h; Ambient temperature; Title compound not separated from byproducts;	A 16 % Spectr. B 39%
In N,N-dimethyl-formamide for 0.5h; Ambient temperature; Title compound not separated from byproducts;	A 16 % Spectr. B 39 % Spectr.

...Expand

: 129946-88-9
Umemoto's reagent

: 62-53-3
aniline

A: 455-14-1
4-trifluoromethylphenylamine

B: 88-17-5
2-(trifluoromethyl)benzenamine

Conditions

Conditions	Yield
In N,N-dimethyl-formamide at 80℃; for 5h; Title compound not separated from byproducts;	A 15% B 37%
In N,N-dimethyl-formamide at 80℃; for 7h;	A 18% B 39 % Spectr.
In N,N-dimethyl-formamide at 30℃; for 3h; Inert atmosphere;	A 2% B 5%

...Expand

: 62-53-3
aniline

: 160656-66-6
S-(Trifluoromethyl)-7-nitrodibenzothiophenium-3-sulfonate

A: 455-14-1
4-trifluoromethylphenylamine

B: 88-17-5
2-(trifluoromethyl)benzenamine

Conditions

Conditions	Yield
In N,N-dimethyl-formamide at 80℃; for 0.5h;	A 18 % Spectr. B 37%
In N,N-dimethyl-formamide at 80℃; for 0.5h;	A 18% B 37 % Spectr.
In N,N-dimethyl-formamide at 80℃; for 0.5h; Product distribution; other temperature;

...Expand

: 2,6-difluoro-S-(trifluoromethyl)dibenzothiophenium trifluoromethanesulfonate

: 62-53-3
aniline

A: 455-14-1
4-trifluoromethylphenylamine

B: 88-17-5
2-(trifluoromethyl)benzenamine

Conditions

Conditions	Yield
In N,N-dimethyl-formamide at 30℃; for 3h; Inert atmosphere;	A 17% B 37%

...Expand

: 75-63-8
Bromotrifluoromethane

: 62-53-3
aniline

A: 455-14-1
4-trifluoromethylphenylamine

B: 88-17-5
2-(trifluoromethyl)benzenamine

Conditions

Conditions	Yield
With α-picoline; sodium metabisulfite; sulfur dioxide; zinc In N,N-dimethyl-formamide at 20℃; under 2250.2 - 3750.3 Torr; for 2h; Product distribution; other alkylating reagents, other method, other pressure, temp.; various substrates;	A 20% B 36%
With α-picoline; sodium metabisulfite; sulfur dioxide; zinc In N,N-dimethyl-formamide at 20℃; under 2250.2 - 3750.3 Torr; for 2h; also with NaS2O4;	A 20% B 36%
With sulfur dioxide; zinc In N,N-dimethyl-formamide under 2250.2 - 3750.3 Torr; for 2h; Ambient temperature;	A 20% B 36%

...Expand

: 75-63-8
Bromotrifluoromethane

: 95-51-2
2-Chloroaniline

A: 433-94-3
2-chloro-6-(trifluoromethyl)benzenamine

B: 39885-50-2
2-chloro-4-(trifluoromethyl)aniline

C: 88-17-5
2-(trifluoromethyl)benzenamine

Conditions

Conditions	Yield
With α-picoline; sodium metabisulfite; sulfur dioxide; zinc In N,N-dimethyl-formamide at 50℃; under 2250.2 - 3750.3 Torr; for 4h;	A 21% B 21% C 14%

...Expand

: 2,8-difluoro-5-(trifluoromethyl)-5Hdibenzo[b,d]thiophen-5-ium trifluoromethanesulfonate

: 62-53-3
aniline

A: 455-14-1
4-trifluoromethylphenylamine

B: 88-17-5
2-(trifluoromethyl)benzenamine

Conditions

Conditions	Yield
In N,N-dimethyl-formamide at 30℃; for 3h; Inert atmosphere;	A 6% B 14%

...Expand

: 384-22-5
2-nitrobenzotrifluoride

A: 393-39-5
4-fluoro-2-(trifluoromethyl)aniline

B: 88-17-5
2-(trifluoromethyl)benzenamine

Conditions

Conditions	Yield
With bismuth; hydrogen fluoride In dichloromethane Yields of byproduct given;	A 12% B n/a

: 360-64-5
2-(trifluoromethyl)benzamide

: 88-17-5
2-(trifluoromethyl)benzenamine

Conditions

Conditions	Yield
With sodium hypobromide

: 314-11-4
N-((2-trifluoromethyl)benzene)phthalimide

: 88-17-5
2-(trifluoromethyl)benzenamine

Conditions

Conditions	Yield
With steam; hydrazine hydrate

: 77811-21-3
2-(2'-trifluoromethylphenyl)azo-4-phenyl-1,3,4-thiadiazol-5-one

A: 645-48-7
1-phenyl-3-thiosemicarbazide

B: 88-17-5
2-(trifluoromethyl)benzenamine

Conditions

Conditions	Yield
With sodium hydroxide; zinc In methanol Heating;

: 129922-33-4
Se-(trifluoromethyl)dibenzoselenophenium triflate

: 62-53-3
aniline

A: 455-14-1
4-trifluoromethylphenylamine

B: 88-17-5
2-(trifluoromethyl)benzenamine

Conditions

Conditions	Yield
In N,N-dimethyl-formamide for 20h; Ambient temperature;	A 4 % Spectr. B 7 % Spectr.
In N,N-dimethyl-formamide for 20h; Ambient temperature; Title compound not separated from byproducts;	A 4 % Spectr. B 7 % Spectr.

...Expand

: 129922-35-6
3-nitro-S-(trifluoromethyl)dibenzothiophenium triflate

: 62-53-3
aniline

A: 455-14-1
4-trifluoromethylphenylamine

B: 88-17-5
2-(trifluoromethyl)benzenamine

Conditions

Conditions	Yield
In N,N-dimethyl-formamide for 0.5h; Ambient temperature; Title compound not separated from byproducts;	A 11 % Spectr. B 18 % Spectr.

...Expand

: 129922-37-8
S-(trifluoromethyl)-3,7-dinitrodibenzothiophenium trifluoromethanesulfonate

: 62-53-3
aniline

A: 455-14-1
4-trifluoromethylphenylamine

B: 88-17-5
2-(trifluoromethyl)benzenamine

Conditions

Conditions	Yield
In N,N-dimethyl-formamide for 2h; Ambient temperature; Title compound not separated from byproducts;	A 26 % Spectr. B 57 % Spectr.

...Expand

: 55642-42-7
bis(trifluoromethyl)tellurium

: 62-53-3
aniline

A: 455-14-1
4-trifluoromethylphenylamine

B: 98-16-8
3-trifluoromethylaniline

C: 88-17-5
2-(trifluoromethyl)benzenamine

Conditions

Conditions	Yield
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

: 62-53-3
aniline

: 160656-62-2
5-(trifluoromethyl)-5H-dibenzo[b,d]thiophenium-3-sulfonate

A: 455-14-1
4-trifluoromethylphenylamine

B: 88-17-5
2-(trifluoromethyl)benzenamine

Conditions

Conditions	Yield
In N,N-dimethyl-formamide at 80℃; for 7h;	A 18 % Spectr. B 36 % Spectr.
In N,N-dimethyl-formamide at 80℃; for 7h; Product distribution; other time;

...Expand

: 129946-88-9
Umemoto's reagent

: 62-53-3
aniline

A: 132-65-0
dibenzothiophene

B: 455-14-1
4-trifluoromethylphenylamine

C: 88-17-5
2-(trifluoromethyl)benzenamine

Conditions

Conditions	Yield
In d7-N,N-dimethylformamide at 62℃; Kinetics; Thermodynamic data; other temperatures and solvents; ΔH(excit.), ΔS(excit.), ΔG(excit.);

...Expand

: 129922-37-8
S-(trifluoromethyl)-3,7-dinitrodibenzothiophenium trifluoromethanesulfonate

: 62-53-3
aniline

A: 455-14-1
4-trifluoromethylphenylamine

B: 59005-75-3
3,7-dinitro-dibenzothiophene

C: 88-17-5
2-(trifluoromethyl)benzenamine

Conditions

Conditions	Yield
In d7-N,N-dimethylformamide at -10℃; Kinetics; Thermodynamic data; other temperatures and solvents; ΔH(excit.), ΔS(excit.), ΔG(excit.);

...Expand

: 62-53-3
aniline

: trifluoromethanesulfonic acid diphenyl(trifluoromethyl)sulfonium salt

A: 455-14-1
4-trifluoromethylphenylamine

B: 139-66-2
diphenyl sulfide

C: 88-17-5
2-(trifluoromethyl)benzenamine

Conditions

Conditions	Yield
In d7-N,N-dimethylformamide at 81.4℃; Kinetics; Thermodynamic data; other temperatures and solvents; ΔH(excit.), ΔS(excit.), ΔG(excit.);

...Expand

: 13668-61-6
(cyclopent-2-eneyl)acetic acid

: 88-17-5
2-(trifluoromethyl)benzenamine

: 2-cyclopent-2-enyl-N-(2-trifluoromethyl-phenyl)-acetamide

Conditions

Conditions	Yield
With dmap; N-(3-dimethylaminopropyl)-N-ethylcarbodiimide In dichloromethane	100%

: 463-71-8
thiophosgene

: 88-17-5
2-(trifluoromethyl)benzenamine

: 1743-86-8
2-(trifluoromethyl)phenyl isothiocyanate

Conditions

Conditions	Yield
In water at 20℃; for 12h;	100%
With sodium hydrogencarbonate In water at 0 - 20℃; for 24h; Inert atmosphere;	95%
With triethylamine In dichloromethane at 20℃; for 1h;

: 39098-97-0
2-thienylacetic acid chloride

: 88-17-5
2-(trifluoromethyl)benzenamine

: 2-(thiophen-2-yl)-N-(2-(trifluoromethyl)phenyl)acetamide

Conditions

Conditions	Yield
In tetrahydrofuran at 20℃;	100%

: 1689-71-0
cis-1,2-diphenyloxirane

: 88-17-5
2-(trifluoromethyl)benzenamine

: 1215118-01-6
C21H18F3NO

Conditions

Conditions	Yield
With 2C12H25O3S(1-)*Zn(2+); (meso)-1,1'-([2,2'-bipyridine]-6,6'-diyl)bis(2,2-dimethylpropan-1-ol) In water at 20℃; for 22h; enantioselective reaction;	100%

: 76-02-8
Trichloroacetyl chloride

: 88-17-5
2-(trifluoromethyl)benzenamine

: 349416-85-9
2,2,2-trichloro-N-(2-(trifluoromethyl)phenyl)acetamide

Conditions

Conditions	Yield
In 1,4-dioxane for 0.5h; Cooling with ice;	100%
With potassium carbonate In dichloromethane at 20℃; Inert atmosphere;	93%

: 1429217-23-1
(R)-N-(1-(3-bromophenyl)ethyl)-3-methoxy-1-methyl-2-oxo-1,2-dihydropyridine-4-carboxamide

: 88-17-5
2-(trifluoromethyl)benzenamine

: 1429217-51-5
(R)-3-methoxy-1-methyl-2-oxo-N-(1-(3-(2-(trifluoromethyl)phenylamino)phenyl)ethyl)-1,2-dihydropyridine-4-carboxamide

Conditions

Conditions	Yield
With tris-(dibenzylideneacetone)dipalladium(0); 2,2'-bis-(diphenylphosphino)-1,1'-binaphthyl; sodium t-butanolate In toluene at 110℃; Inert atmosphere;	100%

: 3282-30-2
pivaloyl chloride

: 88-17-5
2-(trifluoromethyl)benzenamine

: 125686-52-4
N-<2-(trifluromethyl)phenyl>-2,2-dimethylpropanamide

Conditions

Conditions	Yield
With triethylamine In dichloromethane at 0 - 20℃; for 16h;	100%
With triethylamine In tetrahydrofuran at 0 - 20℃; for 12h; Inert atmosphere;
With sodium hydrogencarbonate In dichloromethane at 20℃;

: 15486-96-1
3-Bromopropionyl chloride

: 88-17-5
2-(trifluoromethyl)benzenamine

: 3945-39-9
3-bromo-propionic acid-(2-trifluoromethyl-anilide)

Conditions

Conditions	Yield
With potassium carbonate In dichloromethane at 20℃; for 0.5h; Inert atmosphere;	100%
With potassium carbonate

: 532-55-8
Benzoyl isothiocyanate

: 88-17-5
2-(trifluoromethyl)benzenamine

: 63494-72-4
N-((2-(trifluoromethyl)phenyl)carbamothioyl)benzamide

Conditions

Conditions	Yield
In acetone for 1.5h; Reflux;	99%
In benzene	86%
In tetrahydrofuran at 60 - 65℃; for 0.166667h; Microwave irradiation;	80%

: 1079-66-9
chloro-diphenylphosphine

: 88-17-5
2-(trifluoromethyl)benzenamine

: 648930-41-0
C6H4(o-CF3)NP(C6H5)2P(C6H5)2

Conditions

Conditions	Yield
With triethylamine In dichloromethane at 20℃; for 0.5h;	99%

: 50-00-0
formaldehyd

: 88-17-5
2-(trifluoromethyl)benzenamine

: 1,3,5-tris(2-(trifluoromethyl)phenyl)-1,3,5-triazinane

Conditions

Conditions	Yield
In water for 0.0416667h; microwave irradiation;	99%
In water at 20℃; for 0.416667h; Ionic liquid; Green chemistry;	90%

: 39973-76-7
ethyl 2-benzoyl-3-ethoxyacrylate

: 88-17-5
2-(trifluoromethyl)benzenamine

: 854777-97-2
2-benzoyl-3-(2-trifluoromethylphenylamino)acrylic acid ethyl ester

Conditions

Conditions	Yield
In toluene at 150℃; for 1h; Microwave irradiation;	99%
In toluene for 18h; Heating;	82%

: 88-17-5
2-(trifluoromethyl)benzenamine

: 445-02-3
4-bromo-2-trifluoromethyl-aniline

Conditions

Conditions	Yield
With iron(III) chloride; N-Bromosuccinimide; 1-butyl-3-methylimidazolium trifluoromethanesulfonimide In toluene at 40℃; regioselective reaction;	99%
With N-Bromosuccinimide In N,N-dimethyl-formamide at 0 - 20℃; for 2h; Inert atmosphere; Schlenk technique;	93%
With 1-hexyl-3-methyl-1-imidazolium bromide; copper(ll) bromide for 1h; regioselective reaction;	92%

: 119-61-9
benzophenone

: 88-17-5
2-(trifluoromethyl)benzenamine

: N-(Diphenylmethylene)-2-(trifluoromethyl)aniline

Conditions

Conditions	Yield
With tetraethoxy orthosilicate; sulfuric acid at 160℃; for 16h;	98%

: 1121-60-4
pyridine-2-carbaldehyde

: 88-17-5
2-(trifluoromethyl)benzenamine

: 386713-04-8
N-(2-pyridylmethylidene)-2-trifluoromethylaniline

Conditions

Conditions	Yield
With 4 A molecular sieve In benzene at 80℃; for 8h;	98%
In toluene for 24h; Reflux;	94%
With toluene-4-sulfonic acid In toluene at 70℃; for 48h; Molecular sieve;	91.9%

: 500-22-1
3-pyridinecarboxaldehyde

: 88-17-5
2-(trifluoromethyl)benzenamine

: N-(3-pyridylmethylidene)-2-trifluoromethylaniline

Conditions

Conditions	Yield
With 4 A molecular sieve In benzene at 80℃; for 8h;	98%

: 50-00-0
formaldehyd

: 88-17-5
2-(trifluoromethyl)benzenamine

: 103-85-5
monophenylthiourea

: 701277-33-0
1-phenyl-5-(2-trifluoromethyl-phenyl)-[1,3,5]triazinane-2-thione

Conditions

Conditions	Yield
In water for 0.0138889h; microwave irradiation;	98%

...Expand

: 98946-18-0
tert-Butyl 2,2,2-trichloroacetimidate

: 88-17-5
2-(trifluoromethyl)benzenamine

: 864365-12-8
tert-butyl-(2-trifluoromethyl-phenyl)-amine

Conditions

Conditions	Yield
With boron trifluoride diethyl etherate In cyclohexane at 20℃;	98%

: 673-32-5
1-Phenylprop-1-yne

: 88-17-5
2-(trifluoromethyl)benzenamine

: N-cinnamyl-2-(trifluoromethyl)aniline

Conditions

Conditions	Yield
With palladium diacetate; benzoic acid In toluene at 110℃; for 5h;	98%
With 1,1'-bis-(diphenylphosphino)ferrocene; palladium diacetate; benzoic acid In toluene at 110℃; for 1h; Inert atmosphere; chemoselective reaction;	98%

: 76-05-1
trifluoroacetic acid

: 88-17-5
2-(trifluoromethyl)benzenamine

: 2368-64-1
2,2,2-trifluoro-N-(2-(trifluoromethyl)phenyl)acetamide

Conditions

Conditions	Yield
With pyridine; dmap In dichloromethane at 0 - 20℃; for 15.5h; Inert atmosphere;	98%

: 693-13-0
diisopropyl-carbodiimide

: 88-17-5
2-(trifluoromethyl)benzenamine

: 2-(trifluoromethylphenyl)-1,3-diisopropylguanidine

Conditions

Conditions	Yield
With diethylzinc In hexane; toluene at 50℃; for 2h; Schlenk technique; Inert atmosphere;	98%

: 75-87-6
chloral

: 88-17-5
2-(trifluoromethyl)benzenamine

: 444-93-9
(E)-2-(hydroxyimino)-N-(2-(trifluoromethyl)phenyl)acetamide

Conditions

Conditions	Yield
With hydroxyammonium sulfate; sodium sulfate In ethanol at 60 - 80℃; for 6h;	97%

: 2094-72-6
1-Adamantanecarbonyl chloride

: 88-17-5
2-(trifluoromethyl)benzenamine

: N-[2-(trifluoromethyl)phenyl]adamantane-1-carboxamide

Conditions

Conditions	Yield
With triethylamine In acetone at 90℃; for 3h; Inert atmosphere;	97%

: 123-54-6
acetylacetone

: 88-17-5
2-(trifluoromethyl)benzenamine

: C12H11F3N2O2

Conditions

Conditions	Yield
Stage #1: 2-(trifluoromethyl)benzenamine With hydrogenchloride; sodium nitrite In water at 0 - 5℃; for 0.5h; Stage #2: acetylacetone With sodium acetate In ethanol; water at 0 - 20℃; for 4h;	97%

: 98-09-9
benzenesulfonyl chloride

: 88-17-5
2-(trifluoromethyl)benzenamine

: 86802-68-8
N-(2-(trifluoromethyl)phenyl)benzenesulfonamide

Conditions

Conditions	Yield
With pyridine In acetonitrile at 35 - 55℃; for 6.5h; Inert atmosphere; Large scale;	96.8%
With pyridine at 85℃; for 8h;	88%
With pyridine at 146℃; for 4h;	43%

: 108-24-7
acetic anhydride

: 88-17-5
2-(trifluoromethyl)benzenamine

: 344-62-7
N-[2-(trifluoromethyl)phenyl]acetamide

Conditions

Conditions	Yield
With 2,3,4,5,7,8,9,10-octahydropyrimido[1,2-a]azepin-1-ium acetate In neat (no solvent) at 50℃; for 0.5h; Green chemistry;	96%
at 80℃; for 5h; Large scale;	95%
Stage #1: acetic anhydride; 2-(trifluoromethyl)benzenamine at 20℃; for 1h; Stage #2: With water; sodium hydrogencarbonate	92%

: 50-00-0
formaldehyd

: 1736-71-6
2-trifluoromethylphenyl thiourea

: 88-17-5
2-(trifluoromethyl)benzenamine

: 701277-32-9
1-(2-trifluoromethylphenyl)-5-(2-trifluoromethylphenyl)-2-thioxo hexahydro-1,3,5-triazine

Conditions

Conditions	Yield
In water for 0.0125h; microwave irradiation;	96%

...Expand

: 88-17-5
2-(trifluoromethyl)benzenamine

: 68672-37-7
4-amino-3-(trifluoromethyl)phenyl thiocyanate

Conditions

Conditions	Yield
With bromine In methanol; dichloromethane	96%

: 3466-32-8
4-bromoohenyl methyl sulfone

: 88-17-5
2-(trifluoromethyl)benzenamine

: N-(4-(methylsulfonyl)phenyl)-2-(trifluoromethyl)aniline

Conditions

Conditions	Yield
With sodium phenoxide; C47H70BrO4PPdSi In tetrahydrofuran at 20℃; for 1h; Schlenk technique; Inert atmosphere; Sealed tube;	96%
With 1,3-bis[(diphenylphosphino)propane]dichloronickel(II); N,N,N′,N′-tetramethyl-N″-tert-butylguanidine; 4-phenyl-N-methylpyridinium iodide; 4,4'-di-tert-butyl-2,2'-bipyridine; zinc In dimethyl sulfoxide at 80℃; for 8h; Reagent/catalyst; Inert atmosphere;	83%

: 403-42-9
1-(4-fluorophenyl)ethanone

: 88-17-5
2-(trifluoromethyl)benzenamine

: 133671-30-4
N-<1-(4-fluorophenyl)ethylidene>-2-(trifluoromethyl)aniline

Conditions

Conditions	Yield
With toluene-4-sulfonic acid In toluene for 10h; Heating;	95%

2-Aminobenzotrifluoride Specification

1. Introduction of 2-Aminobenzotrifluoride
With the CAS registry number 88-17-5, 2-Aminobenzotrifluoride is also named as Benzenamine, 2-(trifluoromethyl)-. The IUPAC name of 2-Aminobenzotrifluoride is 2-(trifluoromethyl)aniline. The product's categories are anilines, aromatic amines and nitro compounds; aromatic halides (substituted); API intermediates. 2-Aminobenzotrifluoride is clear colorless to light amber liquid which is insoluble in water, soluble in alcohol, ether. When heated, vapors may form explosive mixtures with air: indoors, outdoors and sewers explosion hazards. Contact with metals may evolve flammable hydrogen gas. In addition, 2-Aminobenzotrifluoride can be used as an important intermediate in the production of fluorine-containing herbicides, pharmaceuticals and dye. Substance may be transported in a molten form.

2. Properties of 2-Aminobenzotrifluoride
2-Aminobenzotrifluoride can be summarized as: (1)ACD/LogP: 2.41; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.41; (4)ACD/LogD (pH 7.4): 2.41; (5)ACD/BCF (pH 5.5): 39.96; (6)ACD/BCF (pH 7.4): 39.96; (7)ACD/KOC (pH 5.5): 487.55; (8)ACD/KOC (pH 7.4): 487.57; (9)#H bond acceptors: 1; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.478; (13)Molar Refractivity: 35.46 cm³; (14)Molar Volume: 125.2 cm³; (15)Polarizability: 14.06×10^-24 cm³; (16)Surface Tension: 28.8 dyne/cm; (17)Enthalpy of Vaporization: 41.11 kJ/mol; (18)Vapour Pressure: 1.18 mmHg at 25°C; (19)Exact Mass: 161.045234; (20)MonoIsotopic Mass: 161.045234; (21)Topological Polar Surface Area: 26; (22)Heavy Atom Count: 11; (23)Complexity: 132.

3. Structure Descriptors of 2-Aminobenzotrifluoride
1. SMILES: FC(F)(F)c1ccccc1N;
2. InChI: InChI=1/C7H6F3N/c8-7(9,10)5-3-1-2-4-6(5)11/h1-4H,11H2.

4.Toxicity of 2-Aminobenzotrifluoride
LD 50 oral LD50 rat 480 mg/kg

5. Safety Information of 2-Aminobenzotrifluoride
Hazard Statement(s)
H226: Flammable liquid and vapour.
H302: Harmful if swallowed.
H318: Causes serious eye damage.
H411: Toxic to aquatic life with long lasting effects.

Precautionary Statement(s)
P210: Keep away from heat/sparks/open flames/hot surfaces. - No smoking.
P273: Avoid release to the environment.
P280: Wear eye protection.
P305 + P351 + P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
P313: Get medical advice/ attention.

Signal Word: Danger
Hazard Pictogram(s): Dangerous N; Irritant Xi; Harmful Xn;F
Storage class 3: Flammable liquids
WGK: WGK 1 slightly water endangering
Disposal: 3
Relatively unreactive organic reagents should be collected in container A. If halogenated, they should be collected in container B. For solid residues use container C.

6. Other details of 2-Aminobenzotrifluoride
When you are using this chemical, please be cautious about it as the following:
It is flammable, so it should keep away from sources of ignition. And it is harmful by inhalation, in contact with skin and if swallowed. In addition, it is irritating to eyes, respiratory system and skin. . In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must wear suitable protective clothing, gloves and eye/face protection. In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)

Product Name

2-Aminobenzotrifluoride

Synthetic route

2-Aminobenzotrifluoride Specification

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