Cas no 857428-36-5 (5-Chloro-2-methyl-4-pyrimidinecarbonitrile)

5-Chloro-2-methyl-4-pyrimidinecarbonitrile is a versatile pyrimidine derivative widely used as a key intermediate in pharmaceutical and agrochemical synthesis. Its reactive chloro and cyano functional groups enable efficient further modifications, making it valuable for constructing heterocyclic compounds. The methyl substituent enhances stability while maintaining reactivity in nucleophilic substitution and cross-coupling reactions. This compound exhibits high purity and consistent performance, ensuring reliable results in research and industrial applications. Its well-defined structure facilitates precise molecular design, particularly in the development of active pharmaceutical ingredients (APIs) and specialty chemicals. Suitable for controlled environments, it requires proper handling due to its reactivity.
5-Chloro-2-methyl-4-pyrimidinecarbonitrile structure
857428-36-5 structure
Product Name:5-Chloro-2-methyl-4-pyrimidinecarbonitrile
CAS No:857428-36-5
MF:C6H4ClN3
MW:153.569059371948
MDL:MFCD32263373
CID:2180040
Update Time:2025-05-28

5-Chloro-2-methyl-4-pyrimidinecarbonitrile Chemical and Physical Properties

Names and Identifiers

    • 5-Chloro-2-methyl-4-pyrimidinecarbonitrile
    • 5-Chloro-2-methylpyrimidine-4-carbonitrile
    • CID 82651711
    • 4-Pyrimidinecarbonitrile, 5-chloro-2-methyl-
    • MDL: MFCD32263373
    • Inchi: 1S/C6H4ClN3/c1-4-9-3-5(7)6(2-8)10-4/h3H,1H3
    • InChI Key: CIJQXKSVCCZPMU-UHFFFAOYSA-N
    • SMILES: ClC1C=NC(C)=NC=1C#N

Computed Properties

  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 0
  • Complexity: 162
  • Topological Polar Surface Area: 49.6

5-Chloro-2-methyl-4-pyrimidinecarbonitrile Pricemore >>

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