9-Hydroxybenzo[a]pyrene-4,5-oxide

Base Information

• Chemical Name: 9-Hydroxybenzo[a]pyrene-4,5-oxide
• CAS No.: 61133-85-5
• Molecular Formula: C20H12 O2
• Molecular Weight: 284.31
• Hs Code.: 2932999099
• DSSTox Substance ID: DTXSID00976650
• Nikkaji Number: J1.461.319F
• Wikidata: Q27116123
• Mol file: 61133-85-5.mol

Synonyms:9-hydroxybenzo(a)pyrene-4,5-epoxide;9-hydroxybenzo(a)pyrene-4,5-oxide;9-OH-BaP-4,5-oxide

Chemical Property of 9-Hydroxybenzo[a]pyrene-4,5-oxide

Chemical Property:

• Vapor Pressure: 3.78E-14mmHg at 25°C
• Boiling Point: 582.1°C at 760 mmHg
• Flash Point: 307.9°C
• PSA: 32.76000
• Density: 1.485g/cm³
• LogP: 4.97780
• XLogP3: 4.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 284.083729621
• Heavy Atom Count: 22
• Complexity: 476

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C3C(=C1)C4C(O4)C5=C3C(=C6C=C(C=CC6=C5)O)C=C2