4-(Trifluoromethyl)benzyl chloride

Basic Information

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CAS Number

939-99-1

Molecular Formula

C8H6ClF3

Molecular Weight

194.58 g/mol

Chemical Classification

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Electronic Chemicals Semiconductor Materials Etchants

Basic Physical Properties

Melting Point

19°C

Boiling Point

68°C/12mmHg

Density

1.315 g/mL at 25 °C

Refractive Index

n20/D 1.464(lit.)

SMILES

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C1=CC(=CC=C1CCl)C(F)(F)F

InChI

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

InChIKey

MCHDHQVROPEJJT-UHFFFAOYSA-N

LogP

3.4442000000000013

Topological Polar Surface Area

0.0 Å²

Hydrogen Bond Donor/Acceptor

0 / 0

Complexity

136

Safety Information

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Hazard Statement

H314 Causes severe skin burns and eye damage
Skin corrosion/irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Hazard Class

Class 8 Class 8

Sensitiveness

Lachrymatory

Synonyms & References

English

1-(Chloromethyl)-4-(trifluoromethyl)benzene
4-(Trifluoromethoxy)benzylchloride
4-(Trifluoromethyl)benzyl chloride
4-Trifluoromethylbenzyl Chloride
p-(Trifluoromethyl)benzyl Chloride
4-(Chloromethyl)benzotrifluoride
α-Chloro-α',α',α'-trifluoro-p-xylene
p-Xylene, a'-chloro-a,a,a-trifluoro- (7CI,8CI)
a-Chloro-p-(trifluoromethyl)toluene
p-Trifluoromethylbenzyl chloride
4-trifluoromethyl benzyl chloride
Benzene, 1-(chloromethyl)-4-(trifluoromethyl)-
alpha'-Chloro-alpha,alpha,alpha-trifluoro-p-xylene
PubChem4700
KSC492S2R
4-trifluoromethylbenzylchloride
4-trifluoromethyl benzylchloride
TIMTEC
1-(Chloromethyl)-4-(trifluoromethyl)benzene (ACI)
p-Xylene, α′-chloro-α,α,α-trifluoro- (7CI, 8CI)
4-Trifluoromethylbenzyl chloride
p-(Trifluoromethyl)benzyl chloride
α-Chloro-p-(trifluoromethyl)toluene
p-(trifluoromethyl)benzyl chloride
1-chloromethyl-4-trifluoromethylbenzene
T2488
4-(Trifluoromethyl)benzyl chloride, 98%
STK503681
NS00022893
alpha-Chloro-alpha',alpha',alpha'-trifluoro-p-xylene
A16129

MDL Number

MFCD00040772

Customs Code

2903999090

FAQ

What are the physical and chemical properties of 4-(Trifluoromethyl)benzyl chloride (CAS: 939-99-1)?

4-(Trifluoromethyl)benzyl chloride (CAS: 939-99-1) is a colorless liquid with a molecular weight of 252.03 g/mol. It has a low melting point of -20°C and a boiling point of 120°C. It is highly soluble in organic solvents like chloroform and acetone but insoluble in water. It reacts with bases to form trifluoromethylated amines and is highly reactive due to the presence of the trifluoromethyl group.

How is 4-(Trifluoromethyl)benzyl chloride (CAS: 939-99-1) typically synthesized?

4-(Trifluoromethyl)benzyl chloride is typically synthesized via a reaction between 4-(trifluoromethyl)benzyl alcohol and thionyl chloride in the presence of a suitable base. The reaction proceeds via an esterification followed by acid chloride formation. The yield is typically around 85%, with high selectivity for the desired product.

What industries use 4-(Trifluoromethyl)benzyl chloride (CAS: 939-99-1)?

4-(Trifluoromethyl)benzyl chloride (CAS: 939-99-1) is used in the pharmaceutical industry for the synthesis of complex organic molecules, in polymer synthesis for its ability to introduce fluorine-containing groups, in sensor technology for its reactivity, and in semiconductor manufacturing for its use in various etching processes.

What precautions should be taken when handling 4-(Trifluoromethyl)benzyl chloride (CAS: 939-99-1)?

When handling 4-(Trifluoromethyl)benzyl chloride, it is essential to use personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work in a well-ventilated area or fume hood to minimize exposure. Spills should be carefully cleaned up with appropriate absorbent materials, and the area should be well-ventilated. Always refer to the Safety Data Sheet (SDS) for specific handling instructions and first aid measures.