Benzo[a]pyrene-7,8-d2

Base Information

• Chemical Name: Benzo[a]pyrene-7,8-d2
• CAS No.: 206752-38-7
• Molecular Formula: C20H10D2
• Molecular Weight: 254.327
• European Community (EC) Number: 685-243-6
• DSSTox Substance ID: DTXSID90425985
• Wikidata: Q82238934
• Mol file: 206752-38-7.mol

Synonyms:Benzo[a]pyrene-7,8-d2;7,8-dideuteriobenzo[a]pyrene;206752-38-7;Benzo(a)pyrene-7,8-d2,98%;DTXSID90425985;J-013513

Chemical Property of Benzo[a]pyrene-7,8-d2

Chemical Property:

• Vapor Pressure: 1.87E-09mmHg at 25°C
• Melting Point: 177-180 °C(lit.)
• Boiling Point: 495 °C(lit.)
• Flash Point: 228.6°C
• PSA: 0.00000
• Density: 1.296g/cm³
• LogP: 5.73720
• XLogP3: 6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 254.106453875
• Heavy Atom Count: 20
• Complexity: 372

Purity/Quality:

≥98% ^*data from raw suppliers

BENZO[A]PYRENE-7,8-D2 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T,N
• Hazard Codes: T,N
• Statements: 45-46-60-61-43-50/53
• Safety Statements: 53-45-60-61

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C3=C4C(=CC2=C1)C=CC5=C4C(=CC=C5)C=C3
• Isomeric SMILES: [2H]C1=CC=C2C3=C4C(=CC2=C1[2H])C=CC5=C4C(=CC=C5)C=C3

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