Dimethyl (cyanomethyl)phosphonate

Base Information

• Chemical Name: Dimethyl (cyanomethyl)phosphonate
• CAS No.: 21658-92-4
• Molecular Formula: C4H8NO3P
• Molecular Weight: 149.086
• European Community (EC) Number: 812-946-9
• DSSTox Substance ID: DTXSID90505796
• Wikidata: Q82361113
• Mol file: 21658-92-4.mol

Synonyms:Dimethyl (cyanomethyl)phosphonate;21658-92-4;2-dimethoxyphosphorylacetonitrile;Phosphonic acid, (cyanomethyl)-, dimethyl ester;dimethoxyphosphorylacetonitrile;Cyanomethyl-phosphonic acid dimethyl ester;C4H8NO3P;SCHEMBL1127967;DTXSID90505796;AKOS006274567;DIMETHYL(CYANOMETHYL)PHOSPHONATE;EN300-267326

Chemical Property of Dimethyl (cyanomethyl)phosphonate

Chemical Property:

• Boiling Point: 120-121 °C(Press: 3 Torr)
• PSA: 69.13000
• Density: 1.2276 g/cm3
• LogP: 0.99588
• XLogP3: -0.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 149.02418011
• Heavy Atom Count: 9
• Complexity: 162

Purity/Quality:

99% ^*data from raw suppliers

dimethyl(cyanomethyl)phosphonate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COP(=O)(CC#N)OC