(4-Cyanobutyl)phosphonic acid ethyl p-nitrophenyl ester

Base Information

• Chemical Name: (4-Cyanobutyl)phosphonic acid ethyl p-nitrophenyl ester
• CAS No.: 74038-38-3
• Molecular Formula: C13H17N2O5P
• Molecular Weight: 312.2582
• DSSTox Substance ID: DTXSID70995393
• Nikkaji Number: J85.631B
• Mol file: 74038-38-3.mol

Synonyms:74038-38-3;(4-Cyanobutyl)phosphonic acid ethyl p-nitrophenyl ester;Phosphonic acid, (4-cyanobutyl)-, ethyl p-nitrophenyl ester;C13H17N2O5P;DTXSID70995393;C13-H17-N2-O5-P;LS-106528;Ethyl 4-nitrophenyl (4-cyanobutyl)phosphonate;(4-Cyanobutyl)phosphonic acid ethyl 4-nitrophenyl ester;Phosphonic acid, (4-cyanobutyl)-, ethyl 4-nitrophenyl ester

Chemical Property of (4-Cyanobutyl)phosphonic acid ethyl p-nitrophenyl ester

Chemical Property:

• Vapor Pressure: 1.14E-09mmHg at 25°C
• Boiling Point: 488°Cat760mmHg
• Flash Point: 248.9°C
• PSA: 114.95000
• Density: 1.258g/cm³
• LogP: 4.42028
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 8
• Exact Mass: 312.08750864
• Heavy Atom Count: 21
• Complexity: 420

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOP(=O)(CCCCC#N)OC1=CC=C(C=C1)[N+](=O)[O-]

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