3-Chloromethyl-benzotrifluoride Chemical Properties

Melting point:

32-36 °C

Boiling point:

180-182 °C

Density 

1.254 g/mL at 25 °C(lit.)

refractive index 

n20/D 1.464(lit.)

Flash point:

120 °F

storage temp. 

Inert atmosphere,Room Temperature

form 

clear liquid

color 

Colorless to Almost colorless

Specific Gravity

1.254

Sensitive 

Lachrymatory

BRN 

743242

InChI

1S/C8H6ClF3/c9-5-6-2-1-3-7(4-6)8(10,11)12/h1-4H,5H2

InChIKey

XGASTRVQNVVYIZ-UHFFFAOYSA-N

SMILES

FC(F)(F)c1cccc(CCl)c1

CAS DataBase Reference

705-29-3(CAS DataBase Reference)

NIST Chemistry Reference

Benzene, 1-(chloromethyl)-3-(trifluoromethyl)-(705-29-3)

EPA Substance Registry System

Benzene, 1-(chloromethyl)-3-(trifluoromethyl)- (705-29-3)

Safety Information

Hazard Codes 

C

Risk Statements 

10-34

Safety Statements 

16-26-36/37/39-45

RIDADR 

UN 2920 8/PG 2

WGK Germany 

3

Hazard Note 

Corrosive/Lachrymatory

TSCA 

TSCA listed

HazardClass 

8

PackingGroup 

III

HS Code 

29036990

Storage Class

3 - Flammable liquids

Hazard Classifications

Flam. Liq. 3
Skin Corr. 1B

MSDS

• Language:English Provider:alpha'-Chloro-alpha,alpha,alpha-trifluoro-m-xylene
• Language:English Provider:ACROS
• Language:English Provider:SigmaAldrich
• Language:English Provider:ALFA

3-Chloromethyl-benzotrifluoride Usage And Synthesis

Chemical Properties

Colorless to light yellow liqui

Uses

3-(Trifluoromethyl)benzyl chloride was used in the synthesis of 4-nitro-3-trifluoromethyl-[N-(4-hydroxyphenyl)]benzamide.

General Description

3-(Trifluoromethyl)benzyl chloride reacts with sodium salts of N,N-disubstituted dithiocarbamic acids to yield series of dithiocarbamates.

Synthesis

73 g (0.5 mole) trifluorotoluene, 150 g 95% sulfuric acid and 15 g (0.5 mole) paraformaldehyde was added to the reaction flask stirred, cooled to 15 degrees Celsius, and then about 4 hours dropwise addition of 30 g (0.252 mole) sulfinyl chloride, dropwise addition end of the reaction continued to keep warm for 4 hours, layered, the lower layer of sulfuric acid can be used for the next batch of reaction, the upper layer of the oil layer in the 0.09 to 0.099MPa The upper oil layer was subjected to decompression distillation under vacuum at 0.09-0.099MPa, and the fraction at 75-80?? was collected to obtain 76g of the product 1-chloromethyl-3-trifluoromethylbenzene, yield: 78.1%.

3-Chloromethyl-benzotrifluoride(705-29-3)Related Product Information

• 3'-(Trifluoromethyl)acetophenone
• Diethylstilbestrol
• Benzoyl peroxide
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• Ethylbenzene
• 2-Methylbenzyl chloride
• 3-Chlorobenzyl chloride
• alpha-Chloro-o-fluorotoluene
• Musk xylene
• 4-Methylbenzyl chloride
• Tolyltriazole
• Benzyl alcohol
• 3-(Trifluoromethyl)cinnamic acid
• Benzyl acetate
• 3-(Trifluoromethyl)benzaldehyde
• 4-Fluorobenzyl chloride
• 3-（trifluoromethyl) Cinnamaldehyde
• XYLENE CYANOL FF