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Methyl 3,4,5-trifluorobenzoate(CAS: 773873-72-6)

Methyl 3,4,5-trifluorobenzoate
CAS Number

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Basic Information

Molecular Formula
C8H5F3O2
Molecular Weight
190.12 g/mol

Physical Properties

Boiling Point
211.1°C at 760 mmHg

Chemical Identifiers

SMILES
COC(=O)C1=CC(=C(C(=C1)F)F)F
InChIKey
NBBPHMUHCCIOJQ-UHFFFAOYSA-N

Database References

MDL Number
MFCD06200977

FAQ

Methyl 3,4,5-trifluorobenzoate is a crystalline compound with a molecular weight of approximately 197.07 g/mol. It has a low solubility in water but is readily soluble in organic solvents like methanol and acetonitrile. The compound is known for its stability, but it can react with strong bases to form trifluorobenzoic acid. It is often used in organic synthesis and as a building block in the pharmaceutical industry.
Methyl 3,4,5-trifluorobenzoate is typically synthesized by the reaction of 3,4,5-trifluorobenzoic acid with methanol in the presence of a catalytic amount of sulfuric acid. The reaction yields a high purity product with excellent selectivity and a yield of up to 90%. This method allows for the efficient preparation of this compound for further use in chemical syntheses.
Methyl 3,4,5-trifluorobenzoate is primarily used in the pharmaceutical and organic synthesis industries. It serves as a key intermediate in the synthesis of various pharmaceutical compounds and is also used in the development of advanced materials, including polymers and sensors. Its unique chemical properties make it a valuable reagent in these fields.
When handling Methyl 3,4,5-trifluorobenzoate, it is essential to use appropriate personal protective equipment (PPE), including safety goggles, gloves, and a lab coat. This compound should be used in a well-ventilated fume hood to prevent inhalation. In case of a spill, it is recommended to use appropriate absorbent materials and follow local disposal regulations. Always consult the Material Safety Data Sheet (MSDS) 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.

Always follow proper handling procedures

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