Bis(4-nitrophenyl) (4-methyl-1,3-phenylene)dicarbamate

Base Information

• Chemical Name: Bis(4-nitrophenyl) (4-methyl-1,3-phenylene)dicarbamate
• CAS No.: 15690-54-7
• Molecular Formula: C21H16N4O8
• Molecular Weight: 452.37374
• European Community (EC) Number: 239-788-8
• DSSTox Substance ID: DTXSID80166158
• Nikkaji Number: J248.734I
• Wikidata: Q83035394
• Mol file: 15690-54-7.mol

Synonyms:15690-54-7;EINECS 239-788-8;Bis(4-nitrophenyl) (4-methyl-1,3-phenylene)dicarbamate;(4-nitrophenyl) N-[2-methyl-5-[(4-nitrophenoxy)carbonylamino]phenyl]carbamate;DTXSID80166158;C21H16N4O8;C21-H16-N4-O8;4-Methyl-1,3-phenylenedicarbamic acid bis(4-nitrophenyl) ester

Chemical Property of Bis(4-nitrophenyl) (4-methyl-1,3-phenylene)dicarbamate

Chemical Property:

• Vapor Pressure: 1.11E-14mmHg at 25°C
• Boiling Point: 607°Cat760mmHg
• PKA: 11.92±0.70(Predicted)
• Flash Point: 320.9°C
• PSA: 175.28000
• Density: 1.511g/cm³
• LogP: 6.10680
• XLogP3: 4.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 6
• Exact Mass: 452.09681348
• Heavy Atom Count: 33
• Complexity: 708

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C=C(C=C1)NC(=O)OC2=CC=C(C=C2)[N+](=O)[O-])NC(=O)OC3=CC=C(C=C3)[N+](=O)[O-]