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3-Bromo-4-methylbenzoic acid(CAS: 7697-26-9)

3-Bromo-4-methylbenzoic acid
CAS Number

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Basic Information

Molecular Formula
C8H7BrO2
Molecular Weight
215.05 g/mol

Physical Properties

Melting Point
207.0 to 213.0 deg-C
Boiling Point
329.8 °C at 760 mmHg
Density
1.599
Flash Point
153.3 °C
Water Solubility
Soluble in methanol. Insoluble in water.

Chemical Identifiers

SMILES
CC1=C(C=C(C=C1)C(=O)O)Br
InChIKey
ZFJOMUKPDWNRFI-UHFFFAOYSA-N

Database References

MDL Number
MFCD00002488
Beilstein Registry Number
1936510

FAQ

3-Bromo-4-methylbenzoic acid is a white to off-white crystalline solid with a molecular weight of approximately 228.04 g/mol. It is slightly soluble in water but soluble in common organic solvents like ethanol and acetone. Chemically, it is reactive towards bases and nucleophiles, making it useful in various synthetic transformations.
3-Bromo-4-methylbenzoic acid is commonly synthesized via bromination of 4-methylbenzoic acid using N-bromosuccinimide (NBS) in the presence of a radical initiator like AIBN. The reaction is typically carried out in an inert solvent like acetonitrile, yielding a high purity product with good selectivity and yield.
3-Bromo-4-methylbenzoic acid is used in the pharmaceutical industry as an intermediate for the synthesis of various drugs. It is also employed in the polymer industry for the development of functionalized polymers and in the semiconductor industry for certain photoresist materials.
When handling 3-Bromo-4-methylbenzoic acid, it is important to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and lab coats. Work in a fume hood to minimize inhalation risks. Store in a cool, dry place away from heat sources. In case of spill, use appropriate spill kits and follow safety data sheet (SDS) guidelines for disposal.

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

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