Cas no 77768-02-6 (4-Methylpyrimidine-2-carbonitrile)

4-Methylpyrimidine-2-carbonitrile structure
77768-02-6 structure
Product Name:4-Methylpyrimidine-2-carbonitrile
CAS No:77768-02-6
MF:C6H5N3
MW:119.124000310898
MDL:MFCD13190572
CID:550712
PubChem ID:12684324
Update Time:2025-04-19

4-Methylpyrimidine-2-carbonitrile Chemical and Physical Properties

Names and Identifiers

    • 4-Methylpyrimidine-2-carbonitrile
    • 4-Methyl-2-pyrimidinecarbonitrile
    • 2-Pyrimidinecarbonitrile, 4-methyl- (9CI)
    • 2-Pyrimidinecarbonitrile,4-methyl-
    • LogP
    • 2-Cyano-4-methylpyrimidine
    • 2-Pyrimidinecarbonitrile, 4-methyl-
    • 4-methyl 2pyrimidincarbonitril
    • 4-Methyl-pyrimidine-2-carbonitrile
    • XXQWGLMZNGIYQY-UHFFFAOYSA-N
    • 4-methyl pyrimidine-2-carbonitrile
    • TRA0070020
    • PB33166
    • SCHEMBL109350
    • AM20120565
    • 77768-02-6
    • 2-Pyrimidinecarbonitrile,4-methyl-(9ci)
    • SY021930
    • A865161
    • AC-28231
    • CS-11465
    • Z1255436519
    • CS-W003852
    • FT-0647270
    • MFCD13190572
    • AKOS016001530
    • EN300-188660
    • BB 0262762
    • DTXSID00506815
    • YSWG212
    • MDL: MFCD13190572
    • Inchi: 1S/C6H5N3/c1-5-2-3-8-6(4-7)9-5/h2-3H,1H3
    • InChI Key: XXQWGLMZNGIYQY-UHFFFAOYSA-N
    • SMILES: N1C(C#N)=NC=CC=1C

Computed Properties

  • Exact Mass: 119.048347172g/mol
  • Monoisotopic Mass: 119.048347172g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 0
  • Complexity: 135
  • 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
  • Topological Polar Surface Area: 49.6
  • XLogP3: 0.7

Experimental Properties

  • Density: 1.16±0.1 g/cm3 (20 oC 760 Torr),
  • Melting Point: 52-57 oC (ligroine )
  • Boiling Point: 264.9±33.0 oC (760 Torr),
  • Flash Point: 100.9±10.6 oC,
  • Refractive Index: 1.531
  • Solubility: Slightly soluble (9.3 g/l) (25 o C),
  • PSA: 49.57000
  • LogP: 0.65668

4-Methylpyrimidine-2-carbonitrile Pricemore >>

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