Cas no 1213767-07-7 (Methyl 2-cyano-4-Methylbenzoate)

Methyl 2-cyano-4-methylbenzoate is a versatile organic compound primarily used as an intermediate in pharmaceutical and agrochemical synthesis. Its structure, featuring both cyano and ester functional groups, enables reactivity in various condensation and nucleophilic substitution reactions. The methyl substituent enhances solubility in organic solvents, facilitating its use in multi-step synthetic processes. This compound exhibits stability under standard storage conditions, making it suitable for industrial applications. Its high purity and consistent quality ensure reliable performance in the production of fine chemicals and active pharmaceutical ingredients (APIs). The compound’s well-defined reactivity profile makes it a valuable building block in heterocyclic and medicinal chemistry research.
Methyl 2-cyano-4-Methylbenzoate structure
1213767-07-7 structure
Product Name:Methyl 2-cyano-4-Methylbenzoate
CAS No:1213767-07-7
MF:C10H9NO2
MW:175.183962583542
MDL:MFCD18399107
CID:2102369
Update Time:2025-11-02

Methyl 2-cyano-4-Methylbenzoate Chemical and Physical Properties

Names and Identifiers

    • Benzoic acid, 2-cyano-4-methyl-, methyl ester
    • Methyl 2-cyano-4-Methylbenzoate
    • 2-Cyano-4-methylbenzoic acid methyl ester
    • MDL: MFCD18399107
    • Inchi: 1S/C10H9NO2/c1-7-3-4-9(10(12)13-2)8(5-7)6-11/h3-5H,1-2H3
    • InChI Key: RLGXGTZNMCDVFB-UHFFFAOYSA-N
    • SMILES: O(C)C(C1C=CC(C)=CC=1C#N)=O

Computed Properties

  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 2
  • Complexity: 241
  • Topological Polar Surface Area: 50.1

Methyl 2-cyano-4-Methylbenzoate Pricemore >>

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