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3-Bromo-4-fluorocinnamic acid(CAS: 160434-49-1)

3-Bromo-4-fluorocinnamic acid
CAS Number

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Basic Information

Molecular Formula
C9H6BrFO2
Molecular Weight
245.05 g/mol

Physical Properties

Melting Point
189-192 °C
Boiling Point
337.4 °C at 760 mmHg
Flash Point
157.9 °C

Chemical Identifiers

SMILES
C1=CC(=C(C=C1C=CC(=O)O)Br)F
InChIKey
ZNIGVADAKXOMQH-UHFFFAOYSA-N

Database References

MDL Number
MFCD00143095
Beilstein Registry Number
8977970

FAQ

3-Bromo-4-fluorocinnamic acid is a white crystalline solid with a molecular weight of 253.03 g/mol. It has a pKa of approximately 3.2 and a melting point of 146-148°C. The compound is soluble in water and organic solvents such as ethanol and acetone. It is moderately reactive with basic compounds and can undergo substitution and condensation reactions.
3-Bromo-4-fluorocinnamic acid is synthesized via the bromination of 4-fluorocinnamic acid followed by a condensation reaction. Common methods include using bromine in the presence of a base like sodium hydroxide. The yield is typically around 70-80%, with good control over selectivity and purity.
3-Bromo-4-fluorocinnamic acid is used in the pharmaceutical and chemical industries for the synthesis of various bioactive compounds. It has applications in the development of new drugs and as a reagent in organic synthesis. It is also used in polymer synthesis for the preparation of functional polymers with specific properties.
When handling 3-Bromo-4-fluorocinnamic acid, it is important 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 using appropriate absorbent materials and disposed of according to local regulations. Always consult the Safety Data Sheet (SDS) for detailed safety guidelines 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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