Cas no 1975-54-8 (5-Cyano-2-methylbenzoic acid)

5-Cyano-2-methylbenzoic acid is a versatile aromatic carboxylic acid derivative featuring both cyano and methyl functional groups on a benzoic acid scaffold. This compound is valued for its utility as a synthetic intermediate in organic and pharmaceutical chemistry, particularly in the preparation of heterocycles and active pharmaceutical ingredients (APIs). The presence of the electron-withdrawing cyano group enhances reactivity in nucleophilic substitution and condensation reactions, while the methyl group contributes to steric and electronic modulation. Its well-defined structure and high purity make it suitable for precision applications in medicinal chemistry and material science. The compound is typically supplied as a crystalline solid with consistent batch-to-batch quality.
5-Cyano-2-methylbenzoic acid structure
5-Cyano-2-methylbenzoic acid structure
Product Name:5-Cyano-2-methylbenzoic acid
CAS No:1975-54-8
MF:C9H7NO2
MW:161.157382249832
MDL:MFCD13189533
CID:2195382
PubChem ID:10374725
Update Time:2025-10-19

5-Cyano-2-methylbenzoic acid Chemical and Physical Properties

Names and Identifiers

    • 5-Cyano-2-methyl-benzoic acid
    • 5-CYANO-2-METHYLBENZOIC ACID
    • 3-cyano-6-methylbenzoic acid
    • 2-Methyl-5-cyanobenzoic acid
    • Benzoic acid, 5-cyano-2-methyl-
    • 3202AJ
    • AB68603
    • 5-Cyano-2-methylbenzoic acid
    • MDL： MFCD13189533
    • Inchi： 1S/C9H7NO2/c1-6-2-3-7(5-10)4-8(6)9(11)12/h2-4H,1H3,(H,11,12)
    • InChI Key： QIKGGLBHJBTYMP-UHFFFAOYSA-N
    • SMILES： OC(C1C=C(C#N)C=CC=1C)=O

Computed Properties

  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 1
  • Complexity: 228
  • Topological Polar Surface Area: 61.1

5-Cyano-2-methylbenzoic acid Pricemore >>

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