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3-Bromo-4-chlorobenzoic acid(CAS: 42860-10-6)

3-Bromo-4-chlorobenzoic acid
CAS Number

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Basic Information

Molecular Formula
C7H4BrClO2
Molecular Weight
235.46 g/mol

Physical Properties

Melting Point
217.0 to 223.0 deg-C

Chemical Identifiers

SMILES
C1=CC(=C(C=C1C(=O)O)Br)Cl
InChIKey
NLEPZGNUPNMRGF-UHFFFAOYSA-N

Database References

MDL Number
MFCD00079706
Beilstein Registry Number
2438796

FAQ

3-Bromo-4-chlorobenzoic acid is a crystalline solid with a molecular weight of approximately 229.01 g/mol. It is slightly soluble in water and ethanol. The compound is reactive towards nucleophiles, particularly in acid or base-catalyzed reactions. It is also prone to sublimation under vacuum conditions.
3-Bromo-4-chlorobenzoic acid is commonly synthesized via the bromination of 4-chlorobenzoic acid followed by recrystallization. The synthesis typically uses N-bromosuccinimide (NBS) as a brominating agent in the presence of an appropriate base such as potassium carbonate. The reaction yields up to 80% of the desired product, with good selectivity.
3-Bromo-4-chlorobenzoic acid is used in various industries, including pharmaceuticals for the synthesis of certain drug intermediates, and in organic synthesis for the production of functionalized benzoic acid derivatives. It also finds applications in the preparation of materials for sensors and semiconductors.
Proper handling of 3-Bromo-4-chlorobenzoic acid requires the use of personal protective equipment (PPE) such as gloves and safety goggles. The compound should be stored in a well-ventilated area, and it is recommended to use a fume hood during operations. In the event of a spill, the area should be decontaminated with an appropriate solvent, and the material safety data sheet (MSDS) should be consulted for specific guidelines.

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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