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1-Methyl-3-(trifluoromethyl)benzene(CAS: 401-79-6)

1-Methyl-3-(trifluoromethyl)benzene
CAS Number

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Basic Information

Molecular Formula
C8H7F3
Molecular Weight
160.14 g/mol

Physical Properties

Boiling Point
130 °C(lit.)

Chemical Identifiers

SMILES
CC1=CC(=CC=C1)C(F)(F)F
InChIKey
VJYXZJGDFJJDGF-UHFFFAOYSA-N

Database References

MDL Number
MFCD00190105
Beilstein Registry Number
1938201

FAQ

1-Methyl-3-(trifluoromethyl)benzene (CAS: 401-79-6) is a colorless to light yellow liquid with a molecular weight of approximately 186.09 g/mol. It has a low boiling point of 151-152°C and a high melting point of 6-7°C. This compound is poorly soluble in water but soluble in organic solvents. It is moderately reactive and can undergo electrophilic aromatic substitution reactions. It is used in pharmaceuticals and as a precursor in the synthesis of other organic compounds.
1-Methyl-3-(trifluoromethyl)benzene (CAS: 401-79-6) is typically synthesized through Friedel-Crafts alkylation of benzene with trifluoroacetamide and aluminum chloride as a catalyst. The reaction provides high selectivity and yield, making it a common method for preparing this compound. Other methods include Friedel-Crafts alkylations with other trifluoromethylating agents like trifluoromethylsulfonyl chloride.
1-Methyl-3-(trifluoromethyl)benzene (CAS: 401-79-6) is primarily used in the pharmaceutical and polymer industries. It serves as a building block for synthesizing complex organic molecules and polymers. Additionally, it is used in the production of sensors and semiconductors due to its unique chemical properties.
When handling 1-Methyl-3-(trifluoromethyl)benzene (CAS: 401-79-6), it is crucial to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be conducted in a fume hood to minimize exposure. Spills should be cleaned up immediately using absorbent materials, and proper disposal methods should be followed. Always consult the Safety Data Sheet (SDS) for detailed safety information and emergency procedures.

Safety Notice

Please verify product specifications and safety data before use. Contact the supplier for detailed safety information.

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