3-Trifluoromethylphenol supplier

Name
3-Trifluoromethylphenol
EINECS 202-645-5
CAS No. 98-17-9
Article Data78
CAS DataBase
Density 1.335 g/cm³
Solubility insoluble in water
Melting Point -2--1.8 °C(lit.)
Formula C₇H₅F₃O
Boiling Point 178 °C at 760 mmHg
Molecular Weight 162.111
Flash Point 73.9 °C
Transport Information
Appearance colorless to light yellow liquid
Safety 26-39-45-36/37/39
Risk Codes 37/38-41-34-24/25-36/37/38
Molecular Structure
Hazard Symbols Xi,T
Synonyms alpha,alpha,alpha-Trifluoro-m-cresol;m-(Trifluoromethyl)phenol;M-trifluoromethylphenol;M-trifluoromethyl phenol;3-hydroxybenzotrifluoride/3-(trifluoromethyl)phenol;3-(Trifluoromethyl) phenol;Trifluorotoluene series;2,3-Difluoro-4-bromophenol;3-Trifluoro Methyl Phenol;α,α,α-trifluoro-m-cresol;3-Trifluoromethyl phenol 99.5% min.;3-hydroxytrifluoromethylbenzene;3-Hydroxybenzotrifluoride;
PSA 20.23000
LogP 2.41100

Synthetic route

: 98-16-8
3-trifluoromethylaniline

: 98-17-9
3-Trifluoromethylphenol

Conditions

Conditions	Yield
Stage #1: 3-trifluoromethylaniline With sulfuric acid; sodium nitrite at 5 - 20℃; for 1h; Stage #2: With water Reflux;	94%
With sulfuric acid; sodium nitrite at 12.5 - 88℃; Temperature; Reagent/catalyst;	93.6%
Stage #1: 3-trifluoromethylaniline With sulfuric acid at 83℃; for 1h; Stage #2: With sodium nitrite In water at -3℃; for 1h; Stage #3: With sulfuric acid; copper(II) sulfate In water at 125℃; Temperature;	92%

: 401-81-0
m-trifluoromethylphenyl iodide

: 98-17-9
3-Trifluoromethylphenol

Conditions

Conditions	Yield
With tetra(n-butyl)ammonium hydroxide In water; dimethyl sulfoxide at 165℃; for 0.0833333h; Flow reactor;	90%
With copper acetylacetonate; N1-(4-hydroxy-2,6-dimethylphenyl)-N2-(4-hydroxy-3,5-dimethylphenyl)oxalamide; potassium hydroxide In water; dimethyl sulfoxide at 60℃; for 24h; Schlenk technique; Inert atmosphere;	90%
With copper(l) iodide; 8-quinolinol; potassium hydroxide In water; dimethyl sulfoxide; tert-butyl alcohol at 100℃; for 48h; Inert atmosphere;	88%

: 1423-26-3
(meta-(trifluoromethyl)phenyl)boronic acid

: 98-17-9
3-Trifluoromethylphenol

Conditions

Conditions	Yield
With copper(II) ferrite; water; sodium hydroxide at 40℃; for 24h; Green chemistry;	96%
With oxygen; triethylamine In 2-methyltetrahydrofuran at 20℃; under 760.051 Torr; for 24h; Green chemistry;	96%
With dihydrogen peroxide In water at 20℃; for 0.166667h; Green chemistry;	92%

: 1-but-3-enoxy-3-(trifluoromethyl)benzene

: 98-17-9
3-Trifluoromethylphenol

Conditions

Conditions	Yield
With [2,2]bipyridinyl; (1,2-dimethoxyethane)dichloronickel(II); water; bis(pinacol)diborane; lithium tert-butoxide In methanol; N,N-dimethyl acetamide at 30℃; for 24h; Schlenk technique;	67%
With 6,6'-dimethyl-2,2'-bipyridine; (1,2-dimethoxyethane)dichloronickel(II); bis(pinacol)diborane; lithium tert-butoxide In methanol; N,N-dimethyl acetamide; water at 30℃; for 24h; Inert atmosphere; Glovebox; Sealed tube;	67%

: C12H13F3O

: 98-17-9
3-Trifluoromethylphenol

Conditions

Conditions	Yield
With [2,2]bipyridinyl; (1,2-dimethoxyethane)dichloronickel(II); water; bis(pinacol)diborane; lithium tert-butoxide In methanol; N,N-dimethyl acetamide at 30℃; for 24h; Schlenk technique;	63%
With 6,6'-dimethyl-2,2'-bipyridine; (1,2-dimethoxyethane)dichloronickel(II); bis(pinacol)diborane; lithium tert-butoxide In methanol; N,N-dimethyl acetamide; water at 30℃; for 24h; Inert atmosphere; Glovebox; Sealed tube;	63%

: 70097-64-2
1-(benzyloxy)-3-(trifluoromethyl)benzene

: 98-17-9
3-Trifluoromethylphenol

Conditions

Conditions	Yield
With 1-n-butyl-3-methylimidazolim bromide at 200 - 220℃; for 0.0833333h; Microwave irradiation; Inert atmosphere;	98%

: 87199-18-6
3-hydroxyphenylboronic acid

: 129946-88-9
Umemoto's reagent

: 98-17-9
3-Trifluoromethylphenol

Conditions

Conditions	Yield
With 2,4,6-trimethyl-pyridine; copper diacetate In N,N-dimethyl acetamide at 0℃; under 760.051 Torr; for 16h; Inert atmosphere;	60%

: 1245824-29-6
meta-trifluoromethylphenyl N,N-diethylcarbamate

: 98-17-9
3-Trifluoromethylphenol

Conditions

Conditions	Yield
With zirconocene dichloride In tetrahydrofuran at 20℃; Inert atmosphere;	91%

: 98-15-7
3-chlorotrifluoromethylbenzene

: 98-17-9
3-Trifluoromethylphenol

Conditions

Conditions	Yield
With copper acetylacetonate; N1-(4-hydroxy-2,6-dimethylphenyl)-N2-(4-hydroxy-3,5-dimethylphenyl)oxalamide; water In water; dimethyl sulfoxide at 130℃; for 24h; Schlenk technique; Inert atmosphere;	93%
With 5-(di-tert-butylphosphino)-1′, 3′, 5′-triphenyl-1′H-[1,4′]bipyrazole; tris-(dibenzylideneacetone)dipalladium(0); cesiumhydroxide monohydrate In tetrahydrofuran at 65℃; Inert atmosphere; Glovebox; Sealed tube;	86%
Multi-step reaction with 2 steps 1: 2-methyl-8-hydroxyquinoline copper; sodium hydroxide / methanol / 5 h / 100 - 105 °C / 6000.6 - 7500.75 Torr / Autoclave 2: methanol / 35 - 40 °C / Autoclave View Scheme

: 74031-45-1
3-trifluoromethyl-2-cyclohexene-1-one

: 98-17-9
3-Trifluoromethylphenol

Conditions

Conditions	Yield
With tetrakis(acetonitrile)palladium(II) bis(tetrafluoroborate); 6,6'-dimethyl-2,2'-bipyridine; sodium anthraquinone-2-sulfonate; oxygen In water; dimethyl sulfoxide at 80℃; under 760.051 Torr; for 12h;	68%

: 6294-93-5
4-chloro-3-trifluoromethylphenol

: 98-17-9
3-Trifluoromethylphenol

Conditions

Conditions	Yield
With hydrogen In ethanol
With hydrogen In ethanol

: (3-trifluoromethylphenyl)(phenyl)iodonium triflate

: 98-17-9
3-Trifluoromethylphenol

Conditions

Conditions	Yield
With dihydrogen peroxide; sodium iodide; sodium hydroxide In methanol at 20℃; for 1h; Microwave irradiation;	47%

: 401-78-5
3-bromo-1-trifluoromethylbenzene

: 98-17-9
3-Trifluoromethylphenol

Conditions

Conditions	Yield
With copper acetylacetonate; N1-(4-hydroxy-2,6-dimethylphenyl)-N2-(4-hydroxy-3,5-dimethylphenyl)oxalamide; water In water; dimethyl sulfoxide at 80℃; for 24h; Schlenk technique; Inert atmosphere;	84%
Multi-step reaction with 2 steps 1: 2-methyl-8-hydroxyquinoline copper; sodium hydroxide / methanol / 2 h / 100 - 105 °C / 6000.6 - 7500.75 Torr / Autoclave 2: methanol / 35 - 40 °C / Autoclave View Scheme

: 1204518-08-0
[3-(trifluoromethyl)phenyl](2,4,6-trimethylphenyl)iodonium trifluoromethanesulfonate

: 98-17-9
3-Trifluoromethylphenol

Conditions

Conditions	Yield
With water; sodium acetate; copper(l) chloride In N,N-dimethyl-formamide at 40℃; for 2h; Inert atmosphere; Sealed tube;	75%

: 131101-28-5
cis-1,2-dihydroxy-3-trifluoromethyl-cyclohexa-3,5-diene

: 98-17-9
3-Trifluoromethylphenol

Conditions

Conditions	Yield
With sodium hydroxide In water at 25℃; Kinetics; Concentration;	100%

: sodium 3-(trifluoromethyl)phenolate

: 98-17-9
3-Trifluoromethylphenol

Conditions

Conditions	Yield
In methanol at 35 - 40℃; Autoclave;	156.8 g

: 3-(trifluoromethyl)phenol ABA ester

A: 98-17-9
3-Trifluoromethylphenol

B: 2228-72-0, 6755-41-5, 7773-56-0, 14375-45-2, 14398-53-9, 14674-85-2, 40331-02-0, 52392-36-6, 72029-68-6, 72029-69-7, 113349-29-4, 21293-29-8
Abscisic acid

Conditions

Conditions	Yield
With water at 30℃; for 168h; Sealed tube; Irradiation;

: 98-08-8
α,α,α-trifluorotoluene

A: 402-45-9
4-hydroxybenzotrifluoride

B: 444-30-4
2-(trifluoromethyl)phenol

C: 98-17-9
3-Trifluoromethylphenol

Conditions

Conditions	Yield
With tert.-butylnitrite; water; oxygen; 2,3-dicyano-5,6-dichloro-p-benzoquinone In neat (no solvent) at 24.84℃; Inert atmosphere; Irradiation; Overall yield = 8 %;
With oxygen; ascorbic acid In water; acetic acid at 105℃; under 11251.1 Torr; for 11h; Overall yield = 14 %;
Stage #1: α,α,α-trifluorotoluene With 2,2,6,6-Tetramethyl-1-piperidinyloxy free radical; 2-(t-butylazo)prop-2-yl hydroperoxide In benzene at 44.84℃; Stage #2: With N,O-Bis(trimethylsilyl)trifluoroacetamide at 75℃; for 2h; Temperature; Solvent; Inert atmosphere; regioselective reaction;

...Expand

: 98-17-9
3-Trifluoromethylphenol

Conditions

Conditions	Yield
With bis(benzonitrile)palladium(II) dichloride In benzene for 20h; Heating;	93%

: 454-90-0
3-(trifluoromethyl)anisole

: 98-17-9
3-Trifluoromethylphenol

Conditions

Conditions	Yield
With 1-n-butyl-3-methylimidazolim bromide at 220℃; for 1h; Inert atmosphere; Microwave irradiation;	94%

: 1763-87-7
3-trifluoromethyl-1-(diethoxymethylsilyl)benzene

: 98-17-9
3-Trifluoromethylphenol

Conditions

Conditions	Yield
With potassium fluoride; dihydrogen peroxide In ethanol for 18h; Heating;	60%

: C7H4F3N2O(1+)*BF4(1-)

A: 98-17-9
3-Trifluoromethylphenol

B: 61721-07-1
4-fluoro-3-(trifluoromethyl)phenol

Conditions

Conditions	Yield
With pyridine; hydrogen fluoride for 3.33333h; Decomposition; Fluoro-dediazoniation; Irradiation;	A 0.1% B 83.8%
With pyridine; hydrogen fluoride at 140℃; Decomposition; Fluoro-dediazoniation;	A 1.1% B 2.5%

: 455-14-1
4-trifluoromethylphenylamine

: 98-17-9
3-Trifluoromethylphenol

Conditions

Conditions	Yield
Multi-step reaction with 6 steps 1.1: dichloromethane; water / 1 h / 25 °C 2.1: sulfuric acid; nitric acid / 2 h / 28 °C 3.1: sulfuric acid / 5 h / 80 °C 4.1: sulfuric acid; acetic acid / water / 2 h / 35 °C 4.2: 3 h / -3 °C 5.1: hydrogen; palladium on activated charcoal / methanol / 4 h / 30 °C / 3750.38 - 13501.4 Torr / Autoclave 6.1: sulfuric acid / 1 h / 83 °C 6.2: 1 h / -3 °C 6.3: 125 °C View Scheme

Yield

Multi-step reaction with 6 steps
1.1: dichloromethane; water / 1 h / 25 °C
2.1: sulfuric acid; nitric acid / 2 h / 28 °C
3.1: sulfuric acid / 5 h / 80 °C
4.1: sulfuric acid; acetic acid / water / 2 h / 35 °C
4.2: 3 h / -3 °C
5.1: hydrogen; palladium on activated charcoal / methanol / 4 h / 30 °C / 3750.38 - 13501.4 Torr / Autoclave
6.1: sulfuric acid / 1 h / 83 °C
6.2: 1 h / -3 °C
6.3: 125 °C
View Scheme

: 349-97-3
4-(trifluromethyl)acetanilide

: 98-17-9
3-Trifluoromethylphenol

Conditions

Conditions	Yield
Multi-step reaction with 5 steps 1.1: sulfuric acid; nitric acid / 2 h / 28 °C 2.1: sulfuric acid / 5 h / 80 °C 3.1: sulfuric acid; acetic acid / water / 2 h / 35 °C 3.2: 3 h / -3 °C 4.1: hydrogen; palladium on activated charcoal / methanol / 4 h / 30 °C / 3750.38 - 13501.4 Torr / Autoclave 5.1: sulfuric acid / 1 h / 83 °C 5.2: 1 h / -3 °C 5.3: 125 °C View Scheme

: 396-12-3
N-(2-nitro-4-(trifluoromethyl)phenyl)acetamide

: 98-17-9
3-Trifluoromethylphenol

Conditions

Conditions	Yield
Multi-step reaction with 4 steps 1.1: sulfuric acid / 5 h / 80 °C 2.1: sulfuric acid; acetic acid / water / 2 h / 35 °C 2.2: 3 h / -3 °C 3.1: hydrogen; palladium on activated charcoal / methanol / 4 h / 30 °C / 3750.38 - 13501.4 Torr / Autoclave 4.1: sulfuric acid / 1 h / 83 °C 4.2: 1 h / -3 °C 4.3: 125 °C View Scheme

: 400-98-6
4-trifluoromethyl-2-nitroaniline

: 98-17-9
3-Trifluoromethylphenol

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1.1: sulfuric acid; acetic acid / water / 2 h / 35 °C 1.2: 3 h / -3 °C 2.1: hydrogen; palladium on activated charcoal / methanol / 4 h / 30 °C / 3750.38 - 13501.4 Torr / Autoclave 3.1: sulfuric acid / 1 h / 83 °C 3.2: 1 h / -3 °C 3.3: 125 °C View Scheme

: 80783-62-6
N-Trifluoromethyl-N-nitrosobenzenesulfonamide

: 108-95-2
phenol

A: 402-45-9
4-hydroxybenzotrifluoride

B: 444-30-4
2-(trifluoromethyl)phenol

C: 98-17-9
3-Trifluoromethylphenol

Conditions

Conditions	Yield
With dimethylglyoxal In acetonitrile for 5h; Irradiation; Yield given. Yields of byproduct given. Title compound not separated from byproducts;

...Expand

: 131086-40-3
3-(trifluoromethyl)phenyl 4-methylbenzenesulfonate

: 67-64-1
acetone

: 98-17-9
3-Trifluoromethylphenol

Conditions

Conditions	Yield
With bis[chloro(1,2,3-trihapto-allylbenzene)palladium(II)]; N-[2-(di(1-adamantyl)phosphino)phenyl]morpholine; caesium carbonate at 90℃; for 16h; Inert atmosphere; sealed vial;

: 75993-61-2
(4-Nitro-phenyl)-acetic acid 3-trifluoromethyl-phenyl ester

A: 104-03-0
4-nitrobenzeneacetic acid

B: 98-17-9
3-Trifluoromethylphenol

Conditions

Conditions	Yield
With barium dihydroxide In water; dimethyl sulfoxide at 30℃; Rate constant; Mechanism;

diazotized 3-amino-trifluoromethyl-benzene: diazotized 3-amino-trifluoromethyl-benzene

: 98-17-9
3-Trifluoromethylphenol

Conditions

Conditions	Yield
With sulfuric acid

: 98-17-9
3-Trifluoromethylphenol

: 74-88-4
methyl iodide

: 454-90-0
3-(trifluoromethyl)anisole

Conditions

Conditions	Yield
With potassium carbonate In acetone at 0 - 20℃; for 18h;	100%
With potassium carbonate In acetone at 0 - 20℃; for 18h; Inert atmosphere;	100%
With sodium hydride In tetrahydrofuran for 12h;	80%

: 98-17-9
3-Trifluoromethylphenol

: 98-59-9
p-toluenesulfonyl chloride

: 131086-40-3
3-(trifluoromethyl)phenyl 4-methylbenzenesulfonate

Conditions

Conditions	Yield
With potassium carbonate In tetrahydrofuran; water at 0 - 20℃; for 2h; Green chemistry;	100%
Stage #1: 3-Trifluoromethylphenol With potassium hydroxide In tetrahydrofuran at 20℃; for 0.0833333h; Inert atmosphere; Stage #2: p-toluenesulfonyl chloride In tetrahydrofuran at 60℃; Inert atmosphere;	96%
Stage #1: 3-Trifluoromethylphenol With potassium hydroxide In tetrahydrofuran at 20℃; for 0.0833333h; Inert atmosphere; Stage #2: p-toluenesulfonyl chloride In tetrahydrofuran at 20 - 60℃; Inert atmosphere;	96%

: 98-17-9
3-Trifluoromethylphenol

: 56705-78-3
potassium 3-(trifluoromethyl)phenolate

Conditions

Conditions	Yield
With potassium tert-butylate for 0.5h; Inert atmosphere;	100%
With potassium tert-butylate for 0.5h;
With potassium tert-butylate for 0.00833333h; Schlenk technique; Inert atmosphere;

: 98-17-9
3-Trifluoromethylphenol

: 1-(5-chlorobenzoxazol-2-yl)-1-(3-(trifluoromethyl)phenoxy)butane

Conditions

Conditions	Yield
With potassium carbonate In acetonitrile for 1h; Heating / reflux;	100%

: 98-17-9
3-Trifluoromethylphenol

: 106-96-7
propargyl bromide

: 17061-88-0
1-(prop-2-yn-1-yloxy)-3-(trifluoromethyl)benzene

Conditions

Conditions	Yield
With potassium carbonate In acetone; toluene for 24h; Williamson Ether Synthesis; Reflux;	100%
With potassium carbonate In acetone for 24h; Inert atmosphere; Reflux;	96.4%
With caesium carbonate In acetonitrile	85%

...Expand

3-Trifluoromethylphenol: 3-Trifluoromethylphenol

: 79-44-7
N,N-Dimethylcarbamoyl chloride

: 722-08-7
3-(trifluoromethyl)phenyl dimethylcarbamate

Conditions

Conditions	Yield
Stage #1: 3-Trifluoromethylphenol With sodium hydride In N,N-dimethyl-formamide; mineral oil at 0℃; Inert atmosphere; Stage #2: N,N-Dimethylcarbamoyl chloride In N,N-dimethyl-formamide; mineral oil at 0 - 20℃; for 3h; Inert atmosphere;	98%
With triethylamine
With triethylamine

: 98-17-9
3-Trifluoromethylphenol

: 23788-74-1
(R)-2,2-dimethyl-1,3-dioxolane-4-ylmethyl p-toluenesulfonate

: (S)-(+)-2,2-dimethyl-4-(3-trifluoromethylphenoxy)methyl-1,3-dioxolane

Conditions

Conditions	Yield
Stage #1: 3-Trifluoromethylphenol With sodium hydroxide In ethanol; water for 0.166667h; Stage #2: (R)-2,2-dimethyl-1,3-dioxolane-4-ylmethyl p-toluenesulfonate In ethanol; water for 20h; Solvent; Reagent/catalyst; Temperature; Reflux;	98%
Stage #1: 3-Trifluoromethylphenol With sodium hydroxide In ethanol; water for 0.166667h; Stage #2: (R)-2,2-dimethyl-1,3-dioxolane-4-ylmethyl p-toluenesulfonate In ethanol; water for 20h; Reflux;	89%
Stage #1: 3-Trifluoromethylphenol With sodium hydroxide In ethanol; water for 0.166667h; Stage #2: (R)-2,2-dimethyl-1,3-dioxolane-4-ylmethyl p-toluenesulfonate In ethanol; water for 20h; Reflux;	88.7%

: 98-17-9
3-Trifluoromethylphenol

: sodium 2-bromo-2,2-difluoro-acetate

α,α-difluoro(3-trifluoromethylphenoxy)acetic acid: α,α-difluoro(3-trifluoromethylphenoxy)acetic acid

Conditions

Conditions	Yield
Stage #1: 3-Trifluoromethylphenol With sodium hydride In 1,4-dioxane at 20℃; for 0.5h; Inert atmosphere; Schlenk technique; Stage #2: sodium 2-bromo-2,2-difluoro-acetate In 1,4-dioxane at 80℃; for 20h; Inert atmosphere;	98%

: 98-17-9
3-Trifluoromethylphenol

: 124-63-0
methanesulfonyl chloride

: 52904-17-3
3-(trifluoromethyl)phenyl methanesulfonate

Conditions

Conditions	Yield
With triethylamine In ethyl acetate at 0 - 20℃; for 0.166667h; Green chemistry;	97%
With triethylamine In dichloromethane at 0℃; for 0.5h;	92%
With pyridine

: 98-17-9
3-Trifluoromethylphenol

: 107-14-2
chloroacetonitrile

: 2145-31-5
(3-trifluoromethylphenoxy)acetonitrile

Conditions

Conditions	Yield
With potassium carbonate In acetone Heating;	97%

: 226389-21-5
4-[(4-fluorophenyl)sulfonyl]tetrahydro-N-[(tetrahydro-2H-pyran-2-yl)oxy]-2H-pyran-4-carboxamide

: 98-17-9
3-Trifluoromethylphenol

: 226399-23-1
C24H26F3NO7S

Conditions

Conditions	Yield
With caesium carbonate In N,N-dimethyl acetamide at 95℃; for 21h;	97%

: 108-05-4
vinyl acetate

: 98-17-9
3-Trifluoromethylphenol

: 78950-34-2
3-(trifluoromethyl)phenyl acetate

Conditions

Conditions	Yield
With 1,4-diaza-bicyclo[2.2.2]octane In neat (no solvent) at 70 - 140℃; for 0.183333h; Microwave irradiation;	97%

: 98-17-9
3-Trifluoromethylphenol

: 41879-37-2
t-butyldimethylsilyl amine

: tert-butyl-di-methyl(3-(trifluoromethyl)phenoxy)silane

Conditions

Conditions	Yield
In neat (no solvent) at 20℃; for 0.5h; Green chemistry;	97%

: C13H13F3N4O5S

: 98-17-9
3-Trifluoromethylphenol

: C19H14F6N4O4

Conditions

Conditions	Yield
With sodium hydride In tetrahydrofuran at 20℃;	96.8%

: 98-17-9
3-Trifluoromethylphenol

: 22323-82-6
(S)-(+)-(2,2-dimethyl-[1,3]dioxolan-4-yl)methanol

: (S)-(+)-2,2-dimethyl-4-(3-trifluoromethylphenoxy)methyl-1,3-dioxolane

Conditions

Conditions	Yield
With di-isopropyl azodicarboxylate; triphenylphosphine In toluene at 90 - 100℃; for 1.5h; Mitsunobu Displacement;	96.46%

: 98-17-9
3-Trifluoromethylphenol

: 3433-80-5
1-Bromo-2-bromomethyl-benzene

: 248582-57-2
1-bromo-2-[3-(trifluoromethyl)phenoxymethyl]benzene

Conditions

Conditions	Yield
With potassium carbonate In acetone for 7h; Substitution; Heating;	96%

: 98-17-9
3-Trifluoromethylphenol

: 17435-72-2
ethyl 2-bromomethyl-2-propenoate

: 1004992-01-1
2-(3-trifluoromethyl-phenoxymethyl)-acrylic acid ethyl ester

Conditions

Conditions	Yield
Stage #1: 3-Trifluoromethylphenol; ethyl 2-bromomethyl-2-propenoate With potassium carbonate In acetone for 1.5h; Heating / reflux; Stage #2: With triethylamine for 0.166667h;	96%

3-Trifluoromethylphenol Chemical Properties

Product Name: 3-Trifluoromethylphenol (CAS NO.98-17-9)

Molecular Formula: C₇H₅F₃O
Molecular Weight: 162.11g/mol
Mol File: 98-17-9.mol
EINECS: 202-645-5
Appearance: Clear colourless to light yellow liquid
Melting Point: -2--1.8 °C(lit.)
Boiling point: 178 °C at 760 mmHg
Flash Point: 73.9 °C
Density: 1.335 g/cm³
Refractive index: n20/D 1.458(lit.)
Water Solubility: insoluble
Index of Refraction: 1.457
Molar Refractivity: 33.11 cm³
Molar Volume: 121.3 cm³
Surface Tension: 28.1 dyne/cm
Enthalpy of Vaporization: 43.13 kJ/mol
Vapour Pressure: 0.749 mmHg at 25°C
XLogP3-AA: 3
H-Bond Donor: 1
H-Bond Acceptor: 4
Structure Descriptors of 3-Trifluoromethylphenol (CAS NO.98-17-9):
IUPAC Name: 3-(trifluoromethyl)phenol
Canonical SMILES: C1=CC(=CC(=C1)O)C(F)(F)F
InChI: InChI=1S/C7H5F3O/c8-7(9,10)5-2-1-3-6(11)4-5/h1-4,11H
InChIKey: UGEJOEBBMPOJMT-UHFFFAOYSA-N
Product Categories: Trifluoromethylbenzene serise; Aromatic Phenols

3-Trifluoromethylphenol Uses

3-Trifluoromethylphenol (CAS NO.98-17-9) can be used as pesticides, drugs and dye intermediates.

3-Trifluoromethylphenol Toxicity Data With Reference

ivn-rat LD50:57 mg/kg

JAPMA8 Journal of the American Pharmaceutical Association, Scientific Edition. 38 (1949),570.

3-Trifluoromethylphenol Consensus Reports

Reported in EPA TSCA Inventory.

3-Trifluoromethylphenol Safety Profile

Safety Information of 3-Trifluoromethylphenol (CAS NO.98-17-9):
Hazard Codes: Xi Irritant ,T Toxic
Risk Statements: 37/38-41-34-24/25-36/37/38
R37/38:Irritating to respiratory system and skin.
R41:Risk of serious damage to the eyes.
R34:Causes burns.
R24:Toxic in contact with skin.
R25 :Toxic if swallowed.
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-39-45-36/37/39
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S39:Wear eye / face protection.
S45:In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection.
WGK Germany: 3
RTECS: GP3510000
Hazard Note: Irritant
TSCA: T
HazardClass: TOXIC

3-Trifluoromethylphenol Specification

3-Trifluoromethylphenol , its CAS NO. is 98-17-9, the synonyms are Phenol, 3-(trifluoromethyl)- ; alpha,alpha,alpha-Trifluoro-m-cresol ; m-Cresol, alpha,alpha,alpha-trifluoro- .

Product Name

3-Trifluoromethylphenol

Synthetic route

3-Trifluoromethylphenol Chemical Properties

3-Trifluoromethylphenol Uses

3-Trifluoromethylphenol Toxicity Data With Reference

3-Trifluoromethylphenol Consensus Reports

3-Trifluoromethylphenol Safety Profile

3-Trifluoromethylphenol Specification

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