Cas no 877149-07-0 (4-bromo-2-chloro-6-methylbenzoic acid)

4-bromo-2-chloro-6-methylbenzoic acid structure
877149-07-0 structure
Product Name:4-bromo-2-chloro-6-methylbenzoic acid
CAS No:877149-07-0
MF:C8H6BrClO2
MW:249.489040851593
MDL:MFCD19686179
CID:2143599
PubChem ID:56604246
Update Time:2025-10-28

4-bromo-2-chloro-6-methylbenzoic acid Chemical and Physical Properties

Names and Identifiers

    • 4-bromo-2-chloro-6-methylbenzoic acid
    • 4-Bromo-2-chloro-6-methylbenzoic acid (ACI)
    • MDL: MFCD19686179
    • Inchi: 1S/C8H6BrClO2/c1-4-2-5(9)3-6(10)7(4)8(11)12/h2-3H,1H3,(H,11,12)
    • InChI Key: ORIIFCWVWHSUIN-UHFFFAOYSA-N
    • SMILES: O=C(C1C(C)=CC(Br)=CC=1Cl)O

Computed Properties

  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 1

4-bromo-2-chloro-6-methylbenzoic acid Pricemore >>

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4-bromo-2-chloro-6-methylbenzoic acid Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Chlorosuccinimide Catalysts: Palladium diacetate Solvents: Dimethylformamide ;  15 min, 110 °C
Reference
New positive allosteric modulators of the metabotropic glutamate receptor 2 (mGluR2): Identification and synthesis of N-propyl-8-chloro-6-substituted isoquinolones
Trabanco, Andres A.; et al, Bioorganic & Medicinal Chemistry Letters, 2011, 21(3), 971-976

4-bromo-2-chloro-6-methylbenzoic acid Raw materials

4-bromo-2-chloro-6-methylbenzoic acid Preparation Products

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