Cas no 40929-48-4 (5-Pyrimidinecarbonyl Chloride)

5-Pyrimidinecarbonyl Chloride structure
5-Pyrimidinecarbonyl Chloride structure
Product Name:5-Pyrimidinecarbonyl Chloride
CAS No:40929-48-4
MF:C5H3ClN2O
MW:142.543119668961
MDL:MFCD03789627
CID:850436
PubChem ID:15839553
Update Time:2025-04-19

5-Pyrimidinecarbonyl Chloride Chemical and Physical Properties

Names and Identifiers

    • 5-Pyrimidinecarbonyl chloride (7CI,9CI)
    • Pyrimidine-5-carbonyl chloride
    • 5-Pyrimidinecarbonyl chloride
    • ACT11315
    • AG-F-45504
    • CTK4I4009
    • Pyrimidin-5-carbonsaeurechlorid
    • pyrimidine-5-carboxylic acid chloride
    • SCHEMBL1421520
    • SY319027
    • s11745
    • CS-W001567
    • DTXSID80578777
    • J-517939
    • AKOS006279784
    • NFKXXURQUMEXDJ-UHFFFAOYSA-N
    • DA-17124
    • MFCD03789627
    • PS-10800
    • 40929-48-4
    • pyrimidine-5-carbonylchloride
    • 5-Pyrimidinecarbonyl Chloride
    • MDL： MFCD03789627
    • Inchi： 1S/C5H3ClN2O/c6-5(9)4-1-7-3-8-2-4/h1-3H
    • InChI Key： NFKXXURQUMEXDJ-UHFFFAOYSA-N
    • SMILES： ClC(C1=CN=CN=C1)=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: 0.7
  • Topological Polar Surface Area: 42.8?2

Experimental Properties

  • Density: 1.393±0.06 g/cm3 (20 oC 760 Torr),
  • Boiling Point: 80-85 oC (3 Torr)
  • Flash Point: 93.4±19.8 oC,
  • Solubility: Slightly soluble (26 g/l) (25 o C),
  • PSA: 42.85

5-Pyrimidinecarbonyl Chloride Pricemore >>

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