Cas no 23679-20-1 (Phosphonic acid,di-2-propen-1-yl ester)

Phosphonic acid,di-2-propen-1-yl ester structure
23679-20-1 structure
Product Name:Phosphonic acid,di-2-propen-1-yl ester
CAS No:23679-20-1
MF:C6H11O3P
MW:162.123502969742
CID:252480
Update Time:2024-01-26

Phosphonic acid,di-2-propen-1-yl ester Chemical and Physical Properties

Names and Identifiers

    • Phosphonic acid,di-2-propen-1-yl ester
    • bis(prop-2-enyl) hydrogen phosphite
    • Allylphosphonate (6CI)
    • Diallyl hydrogen phosphite
    • Diallyl phosphite
    • Diallylphosphonate
    • NSC 512600
    • Phosphonic acid, di-2-propenyl ester (9CI)
    • Phosphonic acid,diallyl ester (8CI)
    • DIALLYLPHOSPHITE
    • Phosphonic acid, di-2-propen-1-yl ester
    • Inchi: 1S/C6H11O3P/c1-3-5-8-10(7)9-6-4-2/h3-4,10H,1-2,5-6H2
    • InChI Key: XHJSDYZZKCDLFI-UHFFFAOYSA-N
    • SMILES: P(=O)(OCC=C)OCC=C

Computed Properties

  • Exact Mass: 162.04463
  • Monoisotopic Mass: 162.045
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 6
  • Complexity: 93.2
  • 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: 38.7A^2

Experimental Properties

  • Density: 1.0800
  • Boiling Point: 97.5-98.5 °C(Press: 8 Torr)
  • PSA: 35.53
  • LogP: 1.61080

Phosphonic acid,di-2-propen-1-yl ester Security Information

  • Hazardous Material Identification: 3
  • Safety Term:ALLYL COMPOUNDS;ALLYL COMPOUNDS
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