4-Trifluoromethylbenzyl chloride supplier

Name
4-Trifluoromethylbenzyl chloride
EINECS
CAS No. 939-99-1
Article Data25
CAS DataBase
Density 1.291 g/cm³
Solubility
Melting Point 19 °C
Formula C₈H₆ClF₃
Boiling Point 189.3 °C at 760 mmHg
Molecular Weight 194.584
Flash Point 73.9 °C
Transport Information UN 3265
Appearance Colorless liquid.
Safety 23-26-27-36/37/39-45
Risk Codes 34-36/37
Molecular Structure
Hazard Symbols C
Synonyms p-Xylene, a'-chloro-a,a,a-trifluoro- (7CI,8CI);1-(Chloromethyl)-4-(trifluoromethyl)benzene;4-Trifluoromethylbenzyl chloride;p-(Trifluoromethyl)benzyl chloride;a-Chloro-p-(trifluoromethyl)toluene;4-(Trifluoromethyl)benzyl chloride;
PSA 0.00000
LogP 3.44420

Synthetic route

: 6140-17-6
4-methylbenzotrifluoride

: 939-99-1
4-trifluoromethylbenzyl chloride

Conditions

Conditions	Yield
With N-chloro-succinimide; N-hydroxyphthalimide; 2,3-dicyano-5,6-dichloro-p-benzoquinone In acetonitrile at 80℃; for 16h; Time; Sealed tube; Inert atmosphere;	87%
With hypochlorous anhydride In tetrachloromethane at 25℃; relative rate constant;

: 349-95-1
4-(trifluoromethyl)benzylic alcohol

: 939-99-1
4-trifluoromethylbenzyl chloride

Conditions

Conditions	Yield
With thionyl chloride at 0 - 70℃; for 1.08333h;	86.7%
With 1-pyrrolidinecarboxaldehyde; benzoyl chloride In 1,4-dioxane at 20℃; for 24h; Sealed tube;	85%
With tetra-(n-butyl)ammonium iodide; 1,2-dichloro-ethane; triphenylphosphine at 120℃; for 0.5h; Sealed tube; Inert atmosphere;	82%

: 349-95-1
4-(trifluoromethyl)benzylic alcohol

: 98-07-7
Benzotrichlorid

A: 98-87-3
benzylidene dichloride

B: 939-99-1
4-trifluoromethylbenzyl chloride

Conditions

Conditions	Yield
With TOP; phenylsilane In neat (no solvent) at 100℃; for 24h; Appel Halogenation; Inert atmosphere;	A n/a B 69%

...Expand

: 455-24-3
4-trifluoromethylbenzoic acid

: 939-99-1
4-trifluoromethylbenzyl chloride

Conditions

Conditions	Yield
With gallium(III) trichloride; Hexamethyldisiloxane; copper dichloride In 1,2-dichloro-ethane at 20℃; for 5h; Sealed tube; Inert atmosphere;	33%
Multi-step reaction with 2 steps 1: LiAlH4 / diethyl ether 2: SOCl2 View Scheme
Multi-step reaction with 2 steps 1: LiAlH4 2: SOCl2 View Scheme

: 81577-13-1
1-(1-Chloro-2,2,2-trifluoro-ethyl)-4-fluoro-benzene

: 109418-80-6
C8H6F3(1+)

A: 128408-32-2
C8H5F4(1+)

B: 939-99-1
4-trifluoromethylbenzyl chloride

Conditions

Conditions	Yield
at 69.85℃; Thermodynamic data; chloride-transfer;

...Expand

: C9H6ClF3O

: 939-99-1
4-trifluoromethylbenzyl chloride

Conditions

Conditions	Yield
In 1,2-dichloro-ethane at 25℃; Kinetics;

: 349-95-1
4-(trifluoromethyl)benzylic alcohol

A: 1396318-77-6
bis(p-trifluoromethylbenzyl) sulfite

B: 939-99-1
4-trifluoromethylbenzyl chloride

Conditions

Conditions	Yield
With pyridine; thionyl chloride In dichloromethane	A 8.8 %Spectr. B 5.8 %Spectr.

: 455-19-6
4-Trifluoromethylbenzaldehyde

: 939-99-1
4-trifluoromethylbenzyl chloride

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: sodium tetrahydroborate; methanol / 0.5 h / 0 °C 2: thionyl chloride / 1.08 h / 0 - 70 °C View Scheme

: 280-57-9
1,4-diaza-bicyclo[2.2.2]octane

: 939-99-1
4-trifluoromethylbenzyl chloride

: 1-(4-(trifluoromethyl)benzyl)-4-aza-1-azonia-bicyclo[2.2.2]octane chloride

Conditions

Conditions	Yield
In tetrahydrofuran for 2h; Heating;	100%
In tetrahydrofuran at 20℃; for 12h;	92%

: 939-99-1
4-trifluoromethylbenzyl chloride

: 436-77-1, 10172-02-8, 33889-68-8, 38769-07-2, 53834-87-0, 119478-08-9
demethyltetrandrine

: C61H57F9N2O6(2+)*2Cl(1-)

Conditions

Conditions	Yield
With triethylhexadecylammonium chloride In water at 200℃; for 0.1h; Reagent/catalyst; Solvent; Temperature; Microwave irradiation;	97.11%

: 939-99-1
4-trifluoromethylbenzyl chloride

: 95332-26-6
2-hydroxy-4-(methoxymethyloxy)benzaldehyde

: 1257999-32-8
4-methoxymethoxy-2-[4-(trifluoromethyl)benzyloxy]benzaldehyde

Conditions

Conditions	Yield
With potassium carbonate In N,N-dimethyl-formamide at 90℃; for 3h;	96%

: 939-99-1
4-trifluoromethylbenzyl chloride

: 108-95-2
phenol

: 19962-24-4
1-(phenoxymethyl)-4-(trifluoromethyl)benzene

Conditions

Conditions	Yield
With potassium carbonate In acetone	94.2%

: 5720-07-0
4-methoxyphenylboronic acid

: 939-99-1
4-trifluoromethylbenzyl chloride

: 1-(4-methoxybenzyl)-4-(trifluoromethyl)-benzene

Conditions

Conditions	Yield
With dichloro bis(acetonitrile) palladium(II); 1,3-bis(diphenylphosphino)-1H-indole; sodium hydroxide In N,N-dimethyl acetamide at 120℃; for 6h; Reagent/catalyst; Suzuki-Miyaura Coupling; Inert atmosphere;	94%
With C36H49Cl2N3Pd; sodium t-butanolate In ethanol at 50℃; for 1h; Suzuki-Miyaura Coupling; Sealed tube;	70 %Chromat.

: 939-99-1
4-trifluoromethylbenzyl chloride

: 204064-81-3
4-(2-(diphenylmethoxy)ethyl]piperidine

: 333363-98-7
4-[2-(diphenylmethoxy)ethyl]-1-[((4-trifluoromethyl)phenyl)methyl]piperidine

Conditions

Conditions	Yield
With potassium carbonate; triethylamine In N,N-dimethyl-formamide at 65℃;	92%
With potassium carbonate; triethylamine In DMF (N,N-dimethyl-formamide)	92%

: 939-99-1
4-trifluoromethylbenzyl chloride

: 22347-29-1
1-(4-bromophenyl)-1H-tetrazole-5-thiol

: 1-(4-bromo-phenyl)-5-(4-trifluoromethyl-benzylsulfanyl)-1H-tetrazole

Conditions

Conditions	Yield
With potassium hydroxide; tetrabutylammomium bromide In toluene Heating;	92%

: 939-99-1
4-trifluoromethylbenzyl chloride

: 52085-14-0
4-benzoxy-salicylaldehyde

: 1257999-13-5
4-benzyloxy-2-[4-(trifluoromethyl)benzyloxy]benzaldehyde

Conditions

Conditions	Yield
With potassium carbonate In N,N-dimethyl-formamide at 90℃; for 3h;	92%

: 363-72-4
Pentafluorobenzene

: 939-99-1
4-trifluoromethylbenzyl chloride

: 1234340-47-6
1,2,3,4,5-pentafluoro-6-(4-(trifluoromethyl)benzyl)benzene

Conditions

Conditions	Yield
With palladium diacetate; caesium carbonate; triphenylphosphine; Trimethylacetic acid In toluene at 140℃; for 12h; Inert atmosphere;	91%

: 13115-24-7
N-methylacetohydroxamic acid

: 939-99-1
4-trifluoromethylbenzyl chloride

: 1352918-97-8
N-methyl-N-((4-(trifluoromethyl)benzyl)oxy)acetamide

Conditions

Conditions	Yield
With sodium hydride In N,N-dimethyl-formamide; mineral oil at 0 - 20℃; for 12h; Inert atmosphere;	91%

: 10041-04-0
1-(2-hydroxyphenyl)-imidazole

: 939-99-1
4-trifluoromethylbenzyl chloride

: C17H14F3N2O(1+)*Cl(1-)

Conditions

Conditions	Yield
In acetonitrile for 4h; Reflux;	91%

: 124-38-9
carbon dioxide

: 939-99-1
4-trifluoromethylbenzyl chloride

A: 6140-17-6
4-methylbenzotrifluoride

B: 32857-62-8
4-Trifluoromethylphenylacetic acid

Conditions

Conditions	Yield
With salcomine; tetrabutylammonium perchlorate; water In acetonitrile at 25℃; electrochemical reaction;	A 90.5% B 3.3%
With salcomine; tetrabutylammonium perchlorate In acetonitrile at 25℃; electrochemical reaction;	A 13.8% B 84.3%

...Expand

: 939-99-1
4-trifluoromethylbenzyl chloride

: 27231-36-3
2-mercapto-5-methylbenzimidazole

: 6-methyl-2-(4-trifluoromethyl-benzylsulfanyl)-1H-benzoimidazole

Conditions

Conditions	Yield
Stage #1: 2-mercapto-5-methylbenzimidazole With sodium methylate In methanol; N,N-dimethyl-formamide at 20℃; for 0.166667h; Stage #2: 4-trifluoromethylbenzyl chloride In methanol; N,N-dimethyl-formamide at 20℃;	90%

: 13980-77-3
1-(4-methylphenyl)tetrazole-5-thiol

: 939-99-1
4-trifluoromethylbenzyl chloride

: 1-p-tolyl-5-(4-trifluoromethyl-benzylsulfanyl)-1H-tetrazole

Conditions

Conditions	Yield
With potassium hydroxide; tetrabutylammomium bromide In toluene Heating;	90%

: 888740-22-5
3-[2-hydroxy-4-(2-methoxyethoxy)phenyl]propanoic acid ethyl ester

: 939-99-1
4-trifluoromethylbenzyl chloride

: 888740-72-5
3-(4-(2-methoxyethoxy)-2-{[4-(trifluoromethyl)benzyl]oxy}phenyl)propanoic acid ethyl ester

Conditions

Conditions	Yield
In N,N-dimethyl-formamide	90%
Stage #1: 3-[2-hydroxy-4-(2-methoxyethoxy)phenyl]propanoic acid ethyl ester With sodium hydride In N,N-dimethyl-formamide for 0.5h; Stage #2: 4-trifluoromethylbenzyl chloride In N,N-dimethyl-formamide for 2h;	90%

: C11H15F2NO2

: 939-99-1
4-trifluoromethylbenzyl chloride

: 4-(2,2-difluoroethylamino)-3-[4-(trifluoromethyl)benzyl]-1-oxaspiro[4.5]dec-3-en-2-one

Conditions

Conditions	Yield
Stage #1: C11H15F2NO2 With caesium carbonate In acetonitrile at 0 - 20℃; for 4h; Stage #2: 4-trifluoromethylbenzyl chloride In acetonitrile for 12h; Reflux; regioselective reaction;	89%

: 271-58-9
anthranil

: 939-99-1
4-trifluoromethylbenzyl chloride

: 13939-06-5, 199620-15-0
molybdenum hexacarbonyl

: 3-(4-(trifluoromethyl)phenyl)quinolin-2(1H)-one

Conditions

Conditions	Yield
With water; palladium diacetate; (S)-(1,1'-binaphthalene)-2,2'-diylbis(diphenylphosphine); triethylamine In 1,2-dimethoxyethane at 100℃; for 26h; Sealed tube; Inert atmosphere;	89%

...Expand

: 2-(4-fluorophenyl)-2-(N,N-dimethylamino)acetonitrile

: 939-99-1
4-trifluoromethylbenzyl chloride

: 1-(4-fluorophenyl)-2-(4-trifluoromethylphenyl)-N,N-dimethylethenylamine

Conditions

Conditions	Yield
With sodium hydride In DMF (N,N-dimethyl-formamide) at 5 - 30℃; for 2h;	88.3%

: 2622-05-1
allylmagnesium bromide

: 939-99-1
4-trifluoromethylbenzyl chloride

: 1-(but-3-en-1-yl)-4-(trifluoromethyl)benzene

Conditions

Conditions	Yield
In diethyl ether for 16h; Condensation; Heating;	88%

: 939-99-1
4-trifluoromethylbenzyl chloride

: N-(4-chloro-2-mercapto-5-methylbenzenesulfonyl)cyanamide dipotassium salt

: N-{4-chloro-5-methyl-2-[(4-trifluoromethylbenzyl)thio]benzenesulfonyl}cyanamide potassium salt

Conditions

Conditions	Yield
In ethanol at 20℃; for 4h;	88%
at 20℃;

: 110-85-0
piperazine

: 939-99-1
4-trifluoromethylbenzyl chloride

: 107890-32-4
1-(4-trifluoromethylbenzyl)piperazine

Conditions

Conditions	Yield
In tetrahydrofuran for 4h; Reflux; Inert atmosphere;	88%
In dichloromethane at 0 - 20℃; for 6h;
In dichloromethane at 0℃;

: 939-99-1
4-trifluoromethylbenzyl chloride

: 479486-96-9
N,N-dimethyl (trimethylsilyl)methanamide

: 869337-11-1
N,N-dimethyl-2-(4-(trifluoromethyl)phenyl)acetamide

Conditions

Conditions	Yield
tetrakis(triphenylphosphine) palladium(0) In toluene at 100℃; for 1h;	87%

: Thiomorpholine-4-carbodithioate sodium salt

: 939-99-1
4-trifluoromethylbenzyl chloride

: 1498922-64-7
4-(trifluoromethyl)benzyl thiomorpholine-4-carbodithioate

Conditions

Conditions	Yield
In acetone at 20℃; for 3h;	87%

: 1570-95-2
2-phenylpropane-1, 3-diol

: 939-99-1
4-trifluoromethylbenzyl chloride

: (S)-2-phenyl-3-(p-trifluoromethylbenzyloxy)propan-1-ol

Conditions

Conditions	Yield
With (R)-2,4-dimethyl-7-(2-(trityloxy)naphthalen-1-yl)-5H-benzo[c]naphtho[2,3-e][1,2]oxaborinin-5-ol; potassium carbonate; potassium iodide In acetonitrile at 20℃; for 24h; Sealed tube; enantioselective reaction;	87%

: 149-30-4
2-Mercaptobenzothiazole

: 939-99-1
4-trifluoromethylbenzyl chloride

: 758716-82-4
2-((4-(trifluoromethyl)benzyl)thio)benzo[d]thiazole

Conditions

Conditions	Yield
With potassium hydroxide In water at 50℃; for 0.5h; Sealed tube; Green chemistry;	86%
With potassium carbonate In water at 50℃; for 0.5h; Solvent; Sealed tube; Green chemistry;

: 1280635-01-9
1-benzyl-4-(4-fluorophenyl)piperidin-3-one oxime

: 939-99-1
4-trifluoromethylbenzyl chloride

: 1280635-08-6
(Z)-1-benzyl-4-(4-fluorophenyl)piperidin-3-one O-4-trifluoromethylbenzyl oxime

Conditions

Conditions	Yield
Stage #1: 1-benzyl-4-(4-fluorophenyl)piperidin-3-one oxime With sodium hydride In tetrahydrofuran at 20℃; for 1h; Stage #2: 4-trifluoromethylbenzyl chloride In N,N-dimethyl-formamide at 50℃; for 120h;	85%

: 873-58-5
sodium N-morpholinocarbamodithioate

: 939-99-1
4-trifluoromethylbenzyl chloride

: 1498922-66-9
4-(trifluoromethyl)benzyl morpholine-4-carbodithioate

Conditions

Conditions	Yield
In acetone at 20℃; for 3h;	85%

: 1003858-50-1
2-(3-methoxyphenyl)-5, 5-dimethyl-1,3,2-dioxaborinane

: 939-99-1
4-trifluoromethylbenzyl chloride

: 1-methoxy-3-(4-(trifluoromethyl)benzyl)benzene

Conditions

Conditions	Yield
With 1-methyl-2-azepanone; copper(l) iodide; 2,2,6,6-tetramethylheptane-3,5-dione; lithium tert-butoxide at 60℃; for 12h; Suzuki-Miyaura Coupling; Schlenk technique; Inert atmosphere;	85%

4-Trifluoromethylbenzyl chloride Specification

The Benzene,1-(chloromethyl)-4-(trifluoromethyl)-, with CAS registry number 939-99-1, has the systematic name of 1-(chloromethyl)-4-(trifluoromethyl)benzene. This chemical is a kind of colorless to light yellow liquid. And it should be stored in the refrigerator. The main use of this chemical is for the intermediate of flocoumafen.

Physical properties of Benzene,1-(chloromethyl)-4-(trifluoromethyl)-: (1)ACD/LogP: 3.06; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.06; (4)ACD/LogD (pH 7.4): 3.06; (5)ACD/BCF (pH 5.5): 124.32; (6)ACD/BCF (pH 7.4): 124.32; (7)ACD/KOC (pH 5.5): 1098.72; (8)ACD/KOC (pH 7.4): 1098.72; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 0 Å²; (13)Index of Refraction: 1.456; (14)Molar Refractivity: 40.99 cm³; (15)Molar Volume: 150.6 cm³; (16)Polarizability: 16.25×10^-24cm³; (17)Surface Tension: 25.8 dyne/cm; (18)Density: 1.291 g/cm³; (19)Flash Point: 73.9 °C; (20)Enthalpy of Vaporization: 40.81 kJ/mol; (21)Boiling Point: 189.3 °C at 760 mmHg; (22)Vapour Pressure: 0.793 mmHg at 25°C.

Preparation: this chemical can be prepared by 4-trifluoromethyl-benzyl alcohol. This reaction will need reagent SOCl₂.

Uses of Benzene,1-(chloromethyl)-4-(trifluoromethyl)-: it can be used to produce 4-trifluoromethylbenzylhydrazine. This reaction will need reagent hydrazine and solvent methanol. The reaction time is 2 hour(s). The yield is about 40%.

When you are using this chemical, please be cautious about it as the following:
The Benzene,1-(chloromethyl)-4-(trifluoromethyl)- irritates to eyes, respiratory system and skin. And this chemical may cause burns. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice. After using it, take off immediately all contaminated clothing. In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)

You can still convert the following datas into molecular structure:
(1)SMILES: ClCc1ccc(cc1)C(F)(F)F
(2)InChI: InChI=1/C8H6ClF3/c9-5-6-1-3-7(4-2-6)8(10,11)12/h1-4H,5H2
(3)InChIKey: MCHDHQVROPEJJT-UHFFFAOYAY
(4)Std. InChI: InChI=1S/C8H6ClF3/c9-5-6-1-3-7(4-2-6)8(10,11)12/h1-4H,5H2
(5)Std. InChIKey: MCHDHQVROPEJJT-UHFFFAOYSA-N

Product Name

4-Trifluoromethylbenzyl chloride

Synthetic route

4-Trifluoromethylbenzyl chloride Specification

Related Products

Hot Products