Benzo(a)pyrene-7,8,9-triol, 10-chloro-7,8,9,10-tetrahydro-, (7R,8S,9S,10S)-

Base Information

• Chemical Name: Benzo(a)pyrene-7,8,9-triol, 10-chloro-7,8,9,10-tetrahydro-, (7R,8S,9S,10S)-
• CAS No.: 213399-21-4
• Molecular Formula: C20H15 Cl O3
• Molecular Weight: 338.7843
• DSSTox Substance ID: DTXSID70943894
• Nikkaji Number: J822.603B
• Wikidata: Q82921070

Synonyms:213399-21-4;DTXSID70943894;10-Chloro-7,8,9,10-tetrahydrobenzo[pqr]tetraphene-7,8,9-triol;Benzo(a)pyrene-7,8,9-triol, 10-chloro-7,8,9,10-tetrahydro-, (7R,8S,9S,10S)-

Chemical Property of Benzo(a)pyrene-7,8,9-triol, 10-chloro-7,8,9,10-tetrahydro-, (7R,8S,9S,10S)-

Chemical Property:

• Vapor Pressure: 8.78E-15mmHg at 25°C
• Boiling Point: 590.4°Cat760mmHg
• Flash Point: 310.8°C
• Density: 1.55g/cm³
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 338.0709720
• Heavy Atom Count: 24
• Complexity: 499

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C3C(=C1)C=CC4=C3C(=CC5=C4C(C(C(C5O)O)O)Cl)C=C2
• Isomeric SMILES: C1=CC2=C3C(=C1)C=CC4=C3C(=CC5=C4[C@@H]([C@H]([C@H]([C@@H]5O)O)O)Cl)C=C2

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