Diethyl (isocyanatomethyl)phosphonate

Base Information

• Chemical Name: Diethyl (isocyanatomethyl)phosphonate
• CAS No.: 21955-18-0
• Molecular Formula: C6H12NO4P
• Molecular Weight: 193.13800
• DSSTox Substance ID: DTXSID60577743
• Nikkaji Number: J371.399G
• Mol file: 21955-18-0.mol

Synonyms:Diethyl (isocyanatomethyl)phosphonate;21955-18-0;SCHEMBL2886525;DTXSID60577743;NFHJQELEVCEQNS-UHFFFAOYSA-N;Isocyanatomethyl-phosphonic acid diethyl ester

Chemical Property of Diethyl (isocyanatomethyl)phosphonate

Chemical Property:

• Boiling Point: 69-70 °C(Press: 0.02 Torr)
• PSA: 74.77000
• Density: 1.1695 g/cm3
• LogP: 1.54580
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 193.05039486
• Heavy Atom Count: 12
• Complexity: 202

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOP(=O)(CN=C=O)OCC