3-Nitro-6-azabenzo(a)pyrene N-oxide

Base Information

• Chemical Name: 3-Nitro-6-azabenzo(a)pyrene N-oxide
• CAS No.: 138835-34-4
• Molecular Formula: C19H10 N2 O3
• Molecular Weight: 314.31
• DSSTox Substance ID: DTXSID90160809
• Nikkaji Number: J488.266K
• Wikidata: Q83029147
• Mol file: 138835-34-4.mol

Synonyms:3-nitro-6-azaBaP N-oxide;3-nitro-6-azabenzo(a)pyrene N-oxide

Chemical Property of 3-Nitro-6-azabenzo(a)pyrene N-oxide

Chemical Property:

• Vapor Pressure: 5.73E-13mmHg at 25°C
• Boiling Point: 582.9°Cat760mmHg
• Flash Point: 306.4°C
• PSA: 71.28000
• Density: 1.5g/cm³
• LogP: 5.59710
• XLogP3: 4.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 314.06914219
• Heavy Atom Count: 24
• Complexity: 521

Purity/Quality:

99% ^*data from raw suppliers

3-NITRO-6-AZABENZO(A)PYRENE N-OXIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C3=C4C(=[N+]2[O-])C=CC5=C(C=CC(=C54)C=C3)[N+](=O)[O-]