4-(Trifluoromethyl)benzyl chloride(CAS: 939-99-1)

CAS Number
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Basic Information
Molecular Formula
C8H6ClF3
Molecular Weight
194.58 g/mol
Physical Properties
Melting Point
19°C(lit.)
Boiling Point
68°C/12mmHg(lit.)
Density
1.315 g/mL at 25 °C(lit.)
Chemical Identifiers
SMILES
C1=CC(=CC=C1CCl)C(F)(F)F
InChIKey
MCHDHQVROPEJJT-UHFFFAOYSA-N
Database References
MDL Number
MFCD00040772
Beilstein Registry Number
511085
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.
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.
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.
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.
Safety Notice
Please verify product specifications and safety data before use. Contact the supplier for detailed safety information.
Always follow proper handling procedures
Contact Information
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