Cas no 794465-45-5 (3-Bromo-5-tert-butylbenzoic Acid)

3-Bromo-5-tert-butylbenzoic Acid is a brominated aromatic carboxylic acid derivative featuring a tert-butyl substituent at the meta position relative to the carboxylic acid group. This compound is primarily utilized as an intermediate in organic synthesis, particularly in the preparation of pharmaceuticals, agrochemicals, and specialty materials. The presence of both bromine and tert-butyl groups enhances its reactivity in cross-coupling reactions and functional group transformations. Its well-defined structure and high purity make it suitable for precise synthetic applications. The compound’s stability under standard conditions ensures reliable handling and storage, while its compatibility with various reaction conditions broadens its utility in complex molecular constructions.
3-Bromo-5-tert-butylbenzoic Acid structure
794465-45-5 structure
Product Name:3-Bromo-5-tert-butylbenzoic Acid
CAS No:794465-45-5
MF:C11H13BrO2
MW:257.123722791672
MDL:MFCD07357307
CID:890404
Update Time:2025-11-02

3-Bromo-5-tert-butylbenzoic Acid Chemical and Physical Properties

Names and Identifiers

    • 3-Bromo-5-(tert-butyl)benzoic acid
    • 3-bromo-5-(1,1-dimethylethyl)Benzoic acid
    • 3-bromo-5-tert-butylbenzoic acid
    • 3-BROMO-5-TERT-BUTYL-BENZOIC ACID
    • AG-L-24484
    • ANW-61964
    • CTK5E6815
    • SureCN1189466
    • 3-Bromo-5-tert-butylbenzoic Acid
    • MDL： MFCD07357307
    • Inchi： 1S/C11H13BrO2/c1-11(2,3)8-4-7(10(13)14)5-9(12)6-8/h4-6H,1-3H3,(H,13,14)
    • InChI Key： JWIWYJFPAQCUGT-UHFFFAOYSA-N
    • SMILES： BrC1C=C(C(=O)O)C=C(C=1)C(C)(C)C

Computed Properties

  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 2

Experimental Properties

  • Density: 1.391
  • Melting Point: 185-186°C
  • Boiling Point: 320.8℃ at 760 mmHg

3-Bromo-5-tert-butylbenzoic Acid Security Information

3-Bromo-5-tert-butylbenzoic Acid Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
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