Cas no 220769-83-5 (2-Pyrimidinecarbonyl chloride)

2-Pyrimidinecarbonyl chloride structure
2-Pyrimidinecarbonyl chloride structure
Product Name:2-Pyrimidinecarbonyl chloride
CAS No:220769-83-5
MF:C5H3ClN2O
MW:142.543119668961
MDL:MFCD18816666
CID:244021
PubChem ID:18403666
Update Time:2025-04-19

2-Pyrimidinecarbonyl chloride Chemical and Physical Properties

Names and Identifiers

    • 2-Pyrimidinecarbonylchloride
    • 2-Pyrimidinecarbonyl chloride (9CI)
    • pyrimidine-2-carbonyl chloride
    • DTXSID50593432
    • SCHEMBL2370675
    • FOVRZAGACROHCK-UHFFFAOYSA-N
    • MFCD18816666
    • 220769-83-5
    • pyrimidine-2-carboxylic acid chloride
    • 2-PYRIMIDINECARBONYL CHLORIDE
    • G66044
    • DB-330536
    • 2-Pyrimidinecarbonyl chloride
    • MDL: MFCD18816666
    • Inchi: 1S/C5H3ClN2O/c6-4(9)5-7-2-1-3-8-5/h1-3H
    • InChI Key: FOVRZAGACROHCK-UHFFFAOYSA-N
    • SMILES: ClC(C1N=CC=CN=1)=O

Computed Properties

  • Exact Mass: 141.99349
  • Monoisotopic Mass: 141.9933904g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 1
  • Complexity: 112
  • 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: 0.4
  • Topological Polar Surface Area: 42.8?2

Experimental Properties

  • Density: 1.4±0.1 g/cm3
  • Melting Point: Not available
  • Boiling Point: 289.4±23.0 °C at 760 mmHg
  • Flash Point: 128.9±22.6 °C
  • PSA: 42.85
  • Vapor Pressure: 0.0±0.6 mmHg at 25°C

2-Pyrimidinecarbonyl chloride Security Information

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