Benzo(a)pyrene-11,12-epoxide

Base Information

• Chemical Name: Benzo(a)pyrene-11,12-epoxide
• CAS No.: 60448-19-3
• Molecular Formula: C20H12 O
• Molecular Weight: 268.32
• DSSTox Substance ID: DTXSID60975846
• Nikkaji Number: J65.897I
• Wikidata: Q27155526
• Mol file: 60448-19-3.mol

Synonyms:benzo(a)pyrene 11,12-oxide

Chemical Property of Benzo(a)pyrene-11,12-epoxide

Chemical Property:

• Vapor Pressure: 2.37E-10mmHg at 25°C
• Refractive Index: 1.6220 (estimate)
• Boiling Point: 518.9°C at 760 mmHg
• Flash Point: 249°C
• PSA: 12.53000
• Density: 1.39g/cm³
• LogP: 5.27220
• XLogP3: 4.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 268.088815002
• Heavy Atom Count: 21
• Complexity: 445

Purity/Quality:

99% ^*data from raw suppliers

BENZO(A)PYRENE-11,12-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)C=C3C=CC4=C5C3=C2C6C(C5=CC=C4)O6