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5-Fluoro-2-(trifluoromethyl)benzoic acid(CAS: 654-99-9)

5-Fluoro-2-(trifluoromethyl)benzoic acid
CAS Number

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Basic Information

Molecular Formula
C8H4F4O2
Molecular Weight
208.11 g/mol

Physical Properties

Melting Point
81.0 to 85.0 deg-C
Boiling Point
238.2°C at 760 mmHg
Density
1.489
Flash Point
97.8 °C

Chemical Identifiers

SMILES
C1=CC(=C(C=C1F)C(=O)O)C(F)(F)F
InChIKey
BRFNBGWEOKQIND-UHFFFAOYSA-N

Database References

MDL Number
MFCD00083521
Beilstein Registry Number
2618195

FAQ

5-Fluoro-2-(trifluoromethyl)benzoic acid is a crystalline solid with a molecular weight of approximately 267.07 g/mol. It is slightly soluble in water and ethanol. Chemically, it is reactive with bases and can form salts. It is stable under normal conditions but requires care in concentrated acid environments.
5-Fluoro-2-(trifluoromethyl)benzoic acid is typically synthesized via the Friedel-Crafts alkylation of benzoic acid with trifluoromethyl triflate in the presence of aluminum chloride as a catalyst. The reaction yields the compound with high selectivity, and purification can be achieved through recrystallization.
5-Fluoro-2-(trifluoromethyl)benzoic acid is used in the pharmaceutical industry for the synthesis of drugs, particularly those that require specific substituents for bioactivity. It also finds applications in the polymer industry for the development of advanced materials and in chemical sensors for detecting specific analytes.
When handling 5-Fluoro-2-(trifluoromethyl)benzoic acid, it is important to wear appropriate personal protective equipment (PPE) including gloves and goggles. The compound should be stored in a fume hood to minimize exposure. Spills should be cleaned up using appropriate absorbent materials, and the area should be ventilated. Always refer to the Safety Data Sheet (SDS) for detailed safety information.

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

Contact Person

Li Jun

Email

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