2-Chlorobenzotrifluoride supplier

Name
2-Chlorobenzotrifluoride
EINECS 201-805-1
CAS No. 88-16-4
Article Data36
CAS DataBase
Density 1.338 g/cm³
Solubility <0.1 g/100 mL at 19.5 °C in water
Melting Point -7.4 °C
Formula C₇H₄ClF₃
Boiling Point 155.7 °C at 760 mmHg
Molecular Weight 180.557
Flash Point 58.9 °C
Transport Information UN 2234 3/PG 3
Appearance clear colourless to light yellow liquid
Safety 26-36-36/37/39-16
Risk Codes 10-36/37/38-22
Molecular Structure
Hazard Symbols Xn, F, Xi, N
Synonyms o-Chloro-.alpha.,.alpha.,.alpha.-trifluorotoluene;o-(Trifluoromethyl)phenyl chloride;2-Chloro-alpha,alpha,alpha-trifluorotoluene;Benzene, 1-chloro-2- (trifluoromethyl)-;o-(Trifluoromethyl)chlorobenzene;Chlorobenzotrifluoride;Benzene, 1-chloro-2-(trifluoromethyl)-;2-Chlorobenzotriflouride;O-chloro trifluorotoluene;2-chloro-α,α,α-trifluorotoluene;o-chlorobenzotrifluoride;2-chloro benzotri fluoride;o-Chloro-alpha,alpha,alpha-trifluorotoluene;1-Chloro-2-(trifluoromethyl)benzene;
PSA 0.00000
LogP 3.35880

Synthetic route

: 615-41-8
2-iodochlorobenzene

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

Conditions

Conditions	Yield
In N,N,N,N,N,N-hexamethylphosphoric triamide; N,N-dimethyl-formamide at 60 - 70℃; for 6h;	84%

: 79-35-6
1,1'-dichloro-2,2'-difluoroethene

: 392-83-6
o-trifluoromethylphenyl bromide

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

B: 88444-77-3
1-(2,2-dichloro-1-fluoroethenyl)-2-(trifluoromethyl)benzene

Conditions

Conditions	Yield
With n-butyllithium In diethyl ether for 1h; Heating;	A 3% B 77%

...Expand

: 160911-81-9
1-Chloro-2-(ethylsulfanyl-difluoro-methyl)-benzene

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

B: 115345-92-1
1-Chloro-2-(chloro-difluoro-methyl)-benzene

Conditions

Conditions	Yield
With bromine trifluoride In trichlorofluoromethane at 0℃;	A 70% B 5%
With bromine trifluoride; trichlorofluoromethane at 0℃;	A 70% B 5%

: 160911-76-2
2-Chloro-dithiobenzoic acid ethyl ester

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

Conditions

Conditions	Yield
With bromine trifluoride In trichlorofluoromethane at 0℃; for 0.0333333h;	70%
Multi-step reaction with 2 steps 1: BrF3 / CCl3F / 0 °C 2: 70 percent / BrF3, CFCl3 / 0 °C View Scheme

: 615-41-8
2-iodochlorobenzene

: 2923-18-4
sodium 2,2,2-trifluoroacetate

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

Conditions

Conditions	Yield
With potassium fluoride; potassium phosphate In water; N,N-dimethyl-formamide at 20℃; for 48h; Irradiation; Inert atmosphere;	63%
With 1-methyl-pyrrolidin-2-one; copper(l) iodide at 160℃; for 4h;	87 % Chromat.
With copper; silver(l) oxide In N,N-dimethyl-formamide at 130℃; for 15h; Inert atmosphere;	70 %Spectr.

: 694-80-4
2-bromo-1-chlorobenzene

: 2923-18-4
sodium 2,2,2-trifluoroacetate

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

Conditions

Conditions	Yield
With potassium fluoride; potassium phosphate In water; N,N-dimethyl-formamide at 20℃; for 48h; Irradiation; Inert atmosphere;	39%

: 110-91-8
morpholine

: 320-60-5
2,4-dichloro-benzotrifluoride

A: 4-(3-chloro-4-trifluoromethylphenyl)morpholine

B: 98-56-6
4-chlorobenzotrifluoride

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

Conditions

Conditions	Yield
With Adipic acid; N'-phenyloxalyl bishydrazide; copper diacetate; sodium acetate; cetyltrimethylammonim bromide; 2,5-hexanedione; potassium hydroxide In water at 110℃; for 3h; Inert atmosphere;	A 5% B n/a C n/a

...Expand

: 2136-89-2
2-chlorobenzotrichloride

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

Conditions

Conditions	Yield
With hydrogen fluoride; antimonypentachloride
With antimony(III) fluoride
With hydrogen fluoride at 50℃; under 7500.75 Torr; for 1h; Autoclave;
With antimony (V)-fluoride chloride; phosphorus pentachloride; hydrogen fluoride
With hydrogen fluoride at 82℃; under 1500.15 - 13501.4 Torr; for 0.5h; Pressure; Temperature;

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

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

Conditions

Conditions	Yield
Diazotization.Behandlung der Diazoniumsalz-Loesung mit CuCl;

: 61841-46-1
2,3,5-trichlorotrifluoromethylbenzene

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

Conditions

Conditions	Yield
With Dichloromethylsilane at 240℃; (electron irradiation);

: 106-46-7
para-dichlorobenzene

A: 98-56-6
4-chlorobenzotrifluoride

B: 98-15-7
3-chlorotrifluoromethylbenzene

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

D: 120-82-1
1,2,4-Trichlorobenzene

Conditions

Conditions	Yield
With α,α,α-trifluorotoluene; chlorine; iron(III) chloride In tetrachloromethane Further byproducts given. Yields of byproduct given. Title compound not separated from byproducts;
With α,α,α-trifluorotoluene; chlorine; iron(III) chloride In tetrachloromethane Product distribution; Rate constant;

...Expand

: 98-08-8
α,α,α-trifluorotoluene

A: 98-56-6
4-chlorobenzotrifluoride

B: 98-15-7
3-chlorotrifluoromethylbenzene

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

Conditions

Conditions	Yield
With chlorine; iron(III) chloride at 80℃; Product distribution;	A n/a B 40.0 % Chromat. C 3.9 % Chromat.

...Expand

: 98-08-8
α,α,α-trifluorotoluene

A: 98-56-6
4-chlorobenzotrifluoride

B: 98-15-7
3-chlorotrifluoromethylbenzene

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

D: 120-82-1
1,2,4-Trichlorobenzene

Conditions

Conditions	Yield
With para-dichlorobenzene; chlorine; iron(III) chloride In tetrachloromethane Further byproducts given. Yields of byproduct given. Title compound not separated from byproducts;
With para-dichlorobenzene; chlorine; iron(III) chloride In tetrachloromethane Product distribution; Rate constant;

...Expand

: 2314-97-8
iodotrifluoromethane

: 108-90-7
chlorobenzene

A: 98-56-6
4-chlorobenzotrifluoride

B: 98-15-7
3-chlorotrifluoromethylbenzene

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

Conditions

Conditions	Yield
at 190℃; for 48h; Title compound not separated from byproducts;	A 23 % Chromat. B 25 % Chromat. C 52 % Chromat.

...Expand

: 383-73-3
bis(trifluoroacetyl)peroxide

: 108-90-7
chlorobenzene

A: 98-56-6
4-chlorobenzotrifluoride

B: 98-15-7
3-chlorotrifluoromethylbenzene

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

Conditions

Conditions	Yield
In 1,1,2-Trichloro-1,2,2-trifluoroethane at 70℃; Yield given. Yields of byproduct given;

...Expand

: 707-72-2
o-trifluoromethyl-α,α-dichlorotoluene

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

Conditions

Conditions	Yield
With chlorine Irradiation;

: 55642-42-7
bis(trifluoromethyl)tellurium

: 108-90-7
chlorobenzene

A: 75-46-7
trifluoromethan

B: 1718-20-3
bis(trifluoromethyl) ditelluride

C: 98-56-6
4-chlorobenzotrifluoride

D: 98-15-7
3-chlorotrifluoromethylbenzene

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

F tellur: tellur

Conditions

Conditions	Yield
for 168h; Product distribution; Irradiation;

...Expand

: 55642-42-7
bis(trifluoromethyl)tellurium

: 108-90-7
chlorobenzene

A: 75-46-7
trifluoromethan

B: 1718-20-3
bis(trifluoromethyl) ditelluride

C: 98-08-8
α,α,α-trifluorotoluene

D: 98-56-6
4-chlorobenzotrifluoride

E: 98-15-7
3-chlorotrifluoromethylbenzene

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

G tellur: tellur

Conditions

Conditions	Yield
at 168℃; for 120h; Product distribution;

...Expand

: 32357-19-0
2-chloro-thiobenzoic acid S-ethyl ester

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

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: 6H4P(S)S>2 2: BrF3 / CCl3F / 0 °C 3: 70 percent / BrF3, CFCl3 / 0 °C View Scheme

: 118-91-2
ortho-chlorobenzoic acid

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

Conditions

Conditions	Yield
Multi-step reaction with 4 steps 1: 1) SO2Cl 2: 6H4P(S)S>2 3: BrF3 / CCl3F / 0 °C 4: 70 percent / BrF3, CFCl3 / 0 °C View Scheme

: 95-49-8
2-methylchlorobenzene

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

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 160 - 190 °C / Einleiten von Chlor 2: SbF3 View Scheme

: 384-22-5
2-nitrobenzotrifluoride

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

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: palladium / Hydrogenation 2: Diazotization.Behandlung der Diazoniumsalz-Loesung mit CuCl View Scheme

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

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

Conditions

Conditions	Yield
Multi-step reaction with 4 steps 1: sulfuric acid; nitric acid / und Erwaermen des Reaktionsprodukts mit aethanol.Natronlauge 2: ethanol; concentrated H2SO4 / 0 - 10 °C / Erwaermen der Reaktionsloesung mit Kupferbronze 3: palladium / Hydrogenation 4: Diazotization.Behandlung der Diazoniumsalz-Loesung mit CuCl View Scheme

: 393-11-3
4-nitro-3-(trifluoromethyl)benzeneamine

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

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: ethanol; concentrated H2SO4 / 0 - 10 °C / Erwaermen der Reaktionsloesung mit Kupferbronze 2: palladium / Hydrogenation 3: Diazotization.Behandlung der Diazoniumsalz-Loesung mit CuCl View Scheme

: 2741-57-3
o-dichloromethyltrichloromethylbenzene

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

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: HF 2: Cl2 / Irradiation View Scheme

: 2136-89-2
2-chlorobenzotrichloride

A: 1258790-97-4
C7H4Cl3F

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

C: 115345-92-1
1-Chloro-2-(chloro-difluoro-methyl)-benzene

Conditions

Conditions	Yield
With hydrogen fluoride; antimonypentachloride at 50℃; under 7500.75 Torr; for 1h; Autoclave;

...Expand

: 2136-89-2
2-chlorobenzotrichloride

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

B: 115345-92-1
1-Chloro-2-(chloro-difluoro-methyl)-benzene

Conditions

Conditions	Yield
With hydrogen fluoride at 50℃; under 7500.75 Torr; for 1h; Autoclave;

: 615-41-8
2-iodochlorobenzene

: (1,10-phenanthroline)(trifluoromethyl)copper (I)

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

Conditions

Conditions	Yield
In N,N-dimethyl-formamide at 20℃; for 18h; Inert atmosphere;	89 %Spectr.

: 103-84-4
Acetanilid

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

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1.1: palladium diacetate; copper diacetate; Trimethylacetic acid / 1,2-dichloro-ethane / 24 h / 110 °C / Inert atmosphere; Schlenk technique; Sealed tube; Green chemistry 2.1: thionyl chloride / methanol / 1.5 h / 75 °C 3.1: sodium nitrite; hydrogenchloride / water / 0 - 5 °C 3.2: 3 h / 0 - 60 °C View Scheme
Multi-step reaction with 4 steps 1.1: toluene / 1 h / 120 °C / Sealed tube; Inert atmosphere 2.1: copper diacetate; Trimethylacetic acid / 1,2-dichloro-ethane / 12 h / 110 °C / Inert atmosphere; Schlenk technique; Sealed tube 3.1: thionyl chloride / methanol / 1.5 h / 75 °C 4.1: sodium nitrite; hydrogenchloride / water / 0 - 5 °C 4.2: 3 h / 0 - 60 °C View Scheme

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

: 536-74-3
phenylacetylene

: 147344-86-3
1-(phenylethynyl)-2-(trifluoromethyl)benzene

Conditions

Conditions	Yield
With copper(l) iodide; potassium carbonate In ethanol; water at 90℃; for 5h; Sonogashira Cross-Coupling; Green chemistry;	100%
With potassium carbonate; bis(η3-allyl-μ-chloropalladium(II)); (1RS,2RS,3SR,4SR)-1,2,3,4-tetrakis((diphenylphosphanyl)methyl)cyclopentane In N,N-dimethyl-formamide at 140℃; for 20h; Sonogashira cross-coupling;	92%

: 100-66-3
methoxybenzene

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

: (4-methoxyphenyl)-(2-chlorophenyl)-dichloromethane

Conditions

Conditions	Yield
With aluminum (III) chloride In 1,2-dichloro-ethane at 0℃; for 3h;	100%

: 288-32-4
1H-imidazole

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

: 1-(2-trifluoromethylphenyl)-imidazole

Conditions

Conditions	Yield
With potassium carbonate In N,N-dimethyl-formamide at 100℃; for 7h;	97%

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

: 777-37-7
4-chloro-3-(trifluoromethyl)nitrobenzene

Conditions

Conditions	Yield
With sulfuric acid; nitric acid at 25℃;	96.13%
With sulfuric acid; nitric acid at 20 - 45℃; for 4h;	91.3%
With sulfuric acid; nitric acid at 45℃; for 4h;	91.3%

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

: 71-43-2
benzene

: 3509-85-1
1-chloro-2-(dichloro(phenyl)methyl)benzene

Conditions

Conditions	Yield
With aluminium trichloride In 1,2-dichloro-ethane at 0℃; for 3h;	96%

: 456-03-1
1-(4-fluorophenyl)propan-1-one

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

: C16H12F4O

Conditions

Conditions	Yield
With C41H50ClN3Pd; sodium t-butanolate In 1,4-dioxane at 100℃; for 4h; Reagent/catalyst; Inert atmosphere;	96%

: 292638-84-7
styrene

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

: 928030-90-4
C15H11F3

Conditions

Conditions	Yield
With potassium carbonate In ethanol; water at 90℃; for 15h; Heck Reaction; Green chemistry;	95%

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

: 7531-52-4
L-prolinamide

: 403478-68-2
(S)-N'-((2-trifluoromethyl)phenyl)prolinylamide

Conditions

Conditions	Yield
With 4-diphenylphosphino-13-dicyclohexylphosphino-[2.2]paracyclophane; water; palladium diacetate; caesium carbonate In 1,4-dioxane at 125℃; for 24h; Buchwald-Hartwig coupling;	94%

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

: 140-88-5
ethyl acrylate

: 50620-98-9
ethyl 2-trifluoromethylcinnamate

Conditions

Conditions	Yield
With potassium carbonate In ethanol; water; N,N-dimethyl-formamide at 100℃; for 5h; Heck Reaction; Green chemistry;	94%

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

: 108-90-7
chlorobenzene

: dichloro-(2-chloro-phenyl)-(4-chloro-phenyl)-methane

Conditions

Conditions	Yield
With aluminium trichloride In 1,2-dichloro-ethane at 0℃; for 3h;	92%

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

: 5188-07-8
sodium thiomethoxide

: 322-58-7
2-(methylthio)-1-(trifluoromethyl)benzene

Conditions

Conditions	Yield
With N,N-dimethyl-formamide at 40 - 50℃; for 20h;	92%

: 108-86-1
bromobenzene

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

: 2-chloro-4'-bromo-diphenyldichloromethane

Conditions

Conditions	Yield
With aluminium trichloride In 1,2-dichloro-ethane at 0℃; for 3h;	91%

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

: 98-80-6
phenylboronic acid

: 362-59-4
2-trifluoromethyl-biphenyl

Conditions

Conditions	Yield
With potassium carbonate; 2-(di-tert-butyl-phosphino)-1-phenyl-1H-pyrrole; palladium diacetate In toluene at 100℃; Suzuki coupling;	91%
With 1-(2,6-diisopropylphenyl)-3-(2-oxo-2-(2,4,6-tri-tert-butylphenylamino)ethyl)-1H-imidazol-3-ium bromide; palladium diacetate; sodium hydroxide In 1-methyl-pyrrolidin-2-one; dichloromethane; water at 130℃; for 12h; Suzuki coupling;	78%
With potassium carbonate; bis(η3-allyl-μ-chloropalladium(II)); Tedicyp In xylene at 130℃; for 20h; Suzuki reaction;	100 % Chromat.

: 7439-95-4
magnesium

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

: 3796-19-8
2-trifluoromethylphenylmagnesium chloride

Conditions

Conditions	Yield
With ethyl bromide; tert-butylmagnesium chloride In tetrahydrofuran at 35 - 50℃; for 3h; Product distribution / selectivity;	91%

: 668987-38-0
5,5-dimethyl-1,3,2-dioxaborinane

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

: 95753-22-3
5,5-dimethyl-2-(2-(trifluoromethyl)phenyl)-1,3,2-dioxaborinane

Conditions

Conditions	Yield
With 1,1'-bis-(diphenylphosphino)ferrocene; 1,3-bis[(diphenylphosphino)propane]dichloronickel(II); triethylamine; zinc In toluene at 100℃; for 4h; Inert atmosphere;	91%
With 1,1'-bis-(diphenylphosphino)ferrocene; 1,3-bis[(diphenylphosphino)propane]dichloronickel(II); triethylamine In toluene at 23 - 100℃; Inert atmosphere;	52%

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

: 13333-97-6
o-trifluoromethylbenzenethiol

Conditions

Conditions	Yield
With copper(ll) sulfate pentahydrate; ethane-1,2-dithiol; potassium hydroxide In water; dimethyl sulfoxide at 110℃; for 20h; Inert atmosphere;	91%
With copper(ll) sulfate pentahydrate; ethane-1,2-dithiol; potassium hydroxide In water; dimethyl sulfoxide at 90℃; for 20h; Reagent/catalyst; Inert atmosphere;	91%

: 91-20-3
naphthalene

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

: 1-[Dichloro-(2-chloro-phenyl)-methyl]-naphthalene

Conditions

Conditions	Yield
With aluminium trichloride In 1,2-dichloro-ethane at 0℃; for 3h;	90%

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

: 1313994-80-7
2',4-dichloro-3-(trifluoromethyl)benzophenone

Conditions

Conditions	Yield
With trifluorormethanesulfonic acid Inert atmosphere; neat (no solvent);	90%

: 1295-35-8
bis(1,5-cyclooctadiene)nickel (0)

: 110-18-9
N,N,N,N,-tetramethylethylenediamine

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

: (TMEDA)Ni(Cl)(o-CF3Ph)

Conditions

Conditions	Yield
at 20℃; for 72h; Glovebox; Inert atmosphere;	90%

...Expand

: 292638-84-7
styrene

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

: 191867-92-2
2-styryl-α,α,α-trifluorotoluene

Conditions

Conditions	Yield
With tetrabutylammomium bromide; sodium acetate; C84H60N12O8Pd4 at 140℃; for 6h; Heck Reaction; Inert atmosphere; Schlenk technique;	89%

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

: 73183-34-3
bis(pinacol)diborane

: 1073339-21-5
2-[2-(trifluoromethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Conditions

Conditions	Yield
With tris(trimethylphosphine)nickel(II) chloride; (2,2,2-trifluoroethoxy)trimethylsilane; cesium fluoride In tetrahydrofuran at 100℃; for 12h; Inert atmosphere;	88%
With (2,2,2-trifluoroethoxy)trimethylsilane; cesium fluoride; dichlorobis(trimethylphosphine)nickel In tetrahydrofuran at 100℃; for 12h; Inert atmosphere; Sealed tube;	88%

: 2633-57-0
tri(allyl)phenylsilane

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

: 362-59-4
2-trifluoromethyl-biphenyl

Conditions

Conditions	Yield
Stage #1: triallyl(phenyl)silane With tetrabutyl ammonium fluoride In tetrahydrofuran; water at 20℃; for 1h; Stage #2: 1-chloro-2-(trifluoromethyl)benzene With XPhos; bis(η3-allyl-μ-chloropalladium(II)) In tetrahydrofuran; water at 80℃; for 3h;	86%
Stage #1: triallyl(phenyl)silane With tetrabutyl ammonium fluoride In tetrahydrofuran; water at 20℃; for 1h; Stage #2: 1-chloro-2-(trifluoromethyl)benzene With XPhos; bis(η3-allyl-μ-chloropalladium(II)) In tetrahydrofuran; water at 80℃; for 3h;	86%

: 110-00-9
furan

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

: 853017-48-8
1,4-epoxy-1,4-dihydro-5-(trifluoromethyl)-naphthalene

Conditions

Conditions	Yield
Stage #1: 1-chloro-2-(trifluoromethyl)benzene With n-butyllithium In tetrahydrofuran; hexane at -78℃; for 1h; Stage #2: furan In tetrahydrofuran; hexane at 25℃;	86%
Stage #1: 1-chloro-2-(trifluoromethyl)benzene With n-butyllithium In tetrahydrofuran; hexane at -75℃; for 1h; Stage #2: furan In tetrahydrofuran; hexane at 25℃;	76%

: 123-75-1
pyrrolidine

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

: 893086-73-2
1-(2-trifluoromethyl-phenyl)pyrrolidine

Conditions

Conditions	Yield
With polymethylhydrosiloxane; sodium t-butanolate; bis(acetylacetonate)nickel(II) In 1,2-dimethoxyethane; toluene at 130℃; for 18h;	85%

: 108-24-7
acetic anhydride

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

: 17408-14-9
1-(2-(trifluoromethyl)phenyl)ethan-1-one

Conditions

Conditions	Yield
Stage #1: 1-chloro-2-(trifluoromethyl)benzene With ethyl bromide; ethylmagnesium bromide; magnesium; lithium chloride In tetrahydrofuran at 45 - 50℃; for 4h; Inert atmosphere; Stage #2: acetic anhydride In tetrahydrofuran at 20 - 30℃; for 2h; Reagent/catalyst; Inert atmosphere; Further stages;	82.7%
Stage #1: 1-chloro-2-(trifluoromethyl)benzene With ethylmagnesium bromide; magnesium; lithium chloride In tetrahydrofuran; ethyl bromide at 45 - 50℃; for 5h; Inert atmosphere; Stage #2: acetic anhydride In tetrahydrofuran; ethyl bromide; toluene at 20 - 30℃; for 2h; Inert atmosphere;	72.4%

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

: 1-chloro-2-(tribromomethyl)benzene

Conditions

Conditions	Yield
With aluminum tri-bromide; trimethylsilyl bromide at 80℃; Inert atmosphere;	82%
With carbon disulfide; aluminum tri-bromide

: 2996-92-1
phenyl trimethylsiloxane

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

: 362-59-4
2-trifluoromethyl-biphenyl

Conditions

Conditions	Yield
With tBu2P-N=P(iBuPCH2CH2)3N; tetrabutyl ammonium fluoride; palladium diacetate at 80℃; for 3h; Hiyama coupling; Inert atmosphere; Neat (no solvent);	82%

: 13368-42-8
4-(trimethylsilyl)morpholine

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

: 4-(3-(trifluoromethyl)-2-(trimethylsilyl)phenyl)morpholine

Conditions

Conditions	Yield
With lithium di-1-admantylamide In diethyl ether; cyclohexane at 50℃; for 28h; Inert atmosphere;	81%

2-Chlorobenzotrifluoride Chemical Properties

IUPAC Name: 1-chloro-2-(trifluoromethyl)benzene
Synonyms: 2-Chloro-alpha,alpha,alpha-trifluorotoluene ; 1-Chloro-2-(trifluoromethyl)benzene; 2-Chloro(trifluoromethyl)benzene
Product Categories: Aromatic Hydrocarbons (substituted) & Derivatives;Chlorine Compounds;Fluorine Compounds
Molecular Formula of 2-Chlorobenzotrifluoride (88-16-4): C₇H₄ClF₃
Molecular Weight: 180.55 g/mol
EINECS: 201-805-1
Melting point: -7.4 °C
Density: 1.338 g/cm³
Flash Point: 58.9 °C
Index of Refraction: 1.448
Surface Tension: 24.5 dyne/cm
Boiling Point: 155.7 °C at 760 mmHg
Enthalpy of Vaporization: 37.63 kJ/mol
Vapour Pressure: 3.85 mmHg at 25°C
storage temp.: Flammables area
Solubility: Insoluble in water, soluble in alcohol, ether, benzene .
Appearance of 2-Chlorobenzotrifluoride (88-16-4): clear colourless to light yellow liquid
Stability: Stable. Flammable. Incompatible with strong oxidizing agents, strong bases
Following is the molecular structure of 2-Chlorobenzotrifluoride (88-16-4):

2-Chlorobenzotrifluoride Uses

2-Chlorobenzotrifluoride (88-16-4) can be used for intermediates in synthetic pesticide, dyestuff and medicine that containing fluorine.

2-Chlorobenzotrifluoride Toxicity Data With Reference

RTECS#: CAS# 88-16-4: XS9141000
LD50/LC50: RTECS:
CAS# 88-16-4: Oral, rat: LD50 = 1600 mg/kg;
Carcinogenicity: 2-Chlorobenzotrifluoride - Not listed as a carcinogen by ACGIH, IARC, NTP, or CA Prop 65.
Other: See actual entry in RTECS for complete information.

2-Chlorobenzotrifluoride Safety Profile

Safty informations about 2-Chlorobenzotrifluoride (88-16-4):
Hazard Codes: Irritant Xi,F, Harmful Xn, Dangerous N
Risk Statements:10-36/37/38-22
R10: Flammable
R36/37/38:Irritating to eyes, respiratory system and skin
R22 :Harmful if swallowed
Safety Statements: 26-36-36/37/39-16
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
S36:Wear suitable protective clothing
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection
S16 :Keep away from sources of ignition - No smoking
RIDADR: UN 2234 3/PG 3
WGK Germany: 3
TSCA: T
HazardClass: 3
PackingGroup: III

2-Chlorobenzotrifluoride Specification

Chemical Stability: Stable under normal temperatures and pressures.
Conditions to Avoid: Incompatible materials, ignition sources.
Incompatibilities with Other Materials Strong oxidizing agents, strong reducing agents.
Hazardous Decomposition Products Hydrogen chloride, chlorine, carbon monoxide, irritating and toxic fumes and gases, carbon dioxide, fluorine, hydrogen fluoride gas.
Hazardous Polymerization Will not occur.

Product Name

2-Chlorobenzotrifluoride

Synthetic route

2-Chlorobenzotrifluoride Chemical Properties

2-Chlorobenzotrifluoride Uses

2-Chlorobenzotrifluoride Toxicity Data With Reference

2-Chlorobenzotrifluoride Safety Profile

2-Chlorobenzotrifluoride Specification

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