1-Nitro-7,8-dihydrobenzo(a)pyrene

Base Information

• Chemical Name: 1-Nitro-7,8-dihydrobenzo(a)pyrene
• CAS No.: 132742-03-1
• Molecular Formula: C20H13 N O2
• Molecular Weight: 299.3227
• UNII: LKK4BKD3VZ
• DSSTox Substance ID: DTXSID00157745
• Wikidata: Q83025899
• Mol file: 132742-03-1.mol

Synonyms:Benzo(a)pyrene, 7,8-dihydro-1-nitro-;1-Nitro-7,8-dihydrobenzo(a)pyrene;LKK4BKD3VZ;132742-03-1;1-nitro-7,8-dihydrobenzo[a]pyrene;CCRIS 4098;UNII-LKK4BKD3VZ;DTXSID00157745

Chemical Property of 1-Nitro-7,8-dihydrobenzo(a)pyrene

Chemical Property:

• Vapor Pressure: 3.12E-10mmHg at 25°C
• Boiling Point: 515.7°Cat760mmHg
• Flash Point: 252.5°C
• Density: 1.399g/cm³
• XLogP3: 5.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 299.094628657
• Heavy Atom Count: 23
• Complexity: 524

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC2=C(C=C1)C3=C4C(=C2)C=CC5=C4C(=C(C=C5)[N+](=O)[O-])C=C3