Cas no 98141-38-9 (2-Cyano-6-methyl-4-chloropyrimidine)

2-Cyano-6-methyl-4-chloropyrimidine structure
98141-38-9 structure
Product Name:2-Cyano-6-methyl-4-chloropyrimidine
CAS No:98141-38-9
MF:C6H4ClN3
MW:153.569059371948
CID:5809287
PubChem ID:45787496
Update Time:2023-11-17

2-Cyano-6-methyl-4-chloropyrimidine Chemical and Physical Properties

Names and Identifiers

    • 2-Cyano-6-methyl-4-chloropyrimidine
    • 2-Pyrimidinecarbonitrile, 4-chloro-6-methyl-
    • SCHEMBL18297112
    • 98141-38-9
    • AKOS006329978
    • DTXSID301267032
    • 4-Chloro-6-methyl-2-pyrimidinecarbonitrile
    • AMY19139
    • 4-CHLORO-6-METHYLPYRIMIDINE-2-CARBONITRILE
    • AB50819
    • MDL: MFCD09607719
    • Inchi: 1S/C6H4ClN3/c1-4-2-5(7)10-6(3-8)9-4/h2H,1H3
    • InChI Key: RYWOTJZWYKSEKT-UHFFFAOYSA-N
    • SMILES: C1(C#N)=NC(C)=CC(Cl)=N1

Computed Properties

  • Exact Mass: 153.0093748g/mol
  • Monoisotopic Mass: 153.0093748g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 0
  • Complexity: 162
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.6
  • Topological Polar Surface Area: 49.6?2

Experimental Properties

  • Density: 1.35±0.1 g/cm3(Predicted)
  • Melting Point: 65 °C
  • Boiling Point: 307.9±34.0 °C(Predicted)
  • pka: -3.92±0.30(Predicted)

2-Cyano-6-methyl-4-chloropyrimidine Pricemore >>

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