1-Nitro-9,10,11,12-tetrahydrobenzo(e)pyrene

Base Information

• Chemical Name: 1-Nitro-9,10,11,12-tetrahydrobenzo(e)pyrene
• CAS No.: 120812-46-6
• Molecular Formula: C20H15 N O2
• Molecular Weight: 301.34
• DSSTox Substance ID: DTXSID60153021
• Wikidata: Q83019816
• ChEMBL ID: CHEMBL166402
• Mol file: 120812-46-6.mol

Synonyms:120812-46-6;1-Nitro-9,10,11,12-tetrahydrobenzo(e)pyrene;8-nitro-9,10,11,12-tetrahydrobenzo[e]pyrene;1-nitro-9,10,11,12-tetrahydro-benzo(e)pyrene;CCRIS 2867;1-nitro-9,10,11,12-tetrahydrobenzo[e]pyrene;CHEMBL166402;DTXSID60153021

Chemical Property of 1-Nitro-9,10,11,12-tetrahydrobenzo(e)pyrene

Chemical Property:

• Vapor Pressure: 2.73E-10mmHg at 25°C
• Boiling Point: 517.3°Cat760mmHg
• Flash Point: 251.9°C
• PSA: 45.82000
• Density: 1.365g/cm³
• LogP: 5.89420
• XLogP3: 6.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 301.110278721
• Heavy Atom Count: 23
• Complexity: 487

Purity/Quality:

1-NITRO-9,10,11,12-TETRAHYDRO-BENZO(E)PYRENE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC2=C(C1)C3=CC=CC4=C3C5=C(C=C4)C=CC(=C25)[N+](=O)[O-]