Cas no 21658-92-4 (dimethyl (cyanomethyl)phosphonate)

dimethyl (cyanomethyl)phosphonate structure
21658-92-4 structure
Product Name:dimethyl (cyanomethyl)phosphonate
CAS No:21658-92-4
MF:C4H8NO3P
MW:149.084981918335
MDL:MFCD00039486
CID:1403181
PubChem ID:12653237
Update Time:2025-04-20

dimethyl (cyanomethyl)phosphonate Chemical and Physical Properties

Names and Identifiers

    • Phosphonic acid, (cyanomethyl)-, dimethyl ester
    • 2-dimethoxyphosphorylacetonitrile
    • Dimethyl (cyanomethyl)phosphonate
    • EN300-267326
    • 21658-92-4
    • DIMETHYL(CYANOMETHYL)PHOSPHONATE
    • dimethoxyphosphorylacetonitrile
    • DTXSID90505796
    • AKOS006274567
    • C4H8NO3P
    • SCHEMBL1127967
    • dimethyl (cyanomethyl)phosphonate
    • MDL: MFCD00039486
    • Inchi: 1S/C4H8NO3P/c1-7-9(6,8-2)4-3-5/h4H2,1-2H3
    • InChI Key: MOABFBADMALFGR-UHFFFAOYSA-N
    • SMILES: P(CC#N)(=O)(OC)OC

Computed Properties

  • Exact Mass: 149.02424
  • Monoisotopic Mass: 149.02418011g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 3
  • 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: -0.7
  • Topological Polar Surface Area: 59.3?2

Experimental Properties

  • Density: 1.2650 g/cm3 (20 oC)
  • Boiling Point: 120-121 oC (3 Torr)
  • Flash Point: 98.0±22.6 oC,
  • Refractive Index: 1.437 (589.3 nm 20 oC)
  • Solubility: Soluble (355 g/l) (25 o C),
  • PSA: 59.32

dimethyl (cyanomethyl)phosphonate Pricemore >>

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