Phosphoric acid, mono(4-cyanophenyl) monomethyl ester

Base Information

• Chemical Name: Phosphoric acid, mono(4-cyanophenyl) monomethyl ester
• CAS No.: 31328-16-2
• Molecular Formula: C8H8 N O4 P
• Molecular Weight: 213.1272
• DSSTox Substance ID: DTXSID70185257
• Nikkaji Number: J691.400D
• Wikidata: Q83056260
• Mol file: 31328-16-2.mol

Synonyms:31328-16-2;Phosphoric acid, mono(4-cyanophenyl) monomethyl ester;Desmethylcyanoxon;DTXSID70185257

Chemical Property of Phosphoric acid, mono(4-cyanophenyl) monomethyl ester

Chemical Property:

• Vapor Pressure: 5.91E-06mmHg at 25°C
• Boiling Point: 364.6°Cat760mmHg
• Flash Point: 174.3°C
• PSA: 89.36000
• Density: 1.39g/cm³
• LogP: 1.68388
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 213.01909473
• Heavy Atom Count: 14
• Complexity: 276

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COP(=O)(O)OC1=CC=C(C=C1)C#N