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Home > Encyclopedia > Benzo[a]pyrene 4,5-oxide

Benzo[a]pyrene 4,5-oxide

Benzo[a]pyrene 4,5-oxide structure

Benzo[a]pyrene 4,5-oxide 

structure
  • CAS No:

    37574-47-3

  • Formula:

    C20H12O

  • Chemical Name:

    Benzo[a]pyrene 4,5-oxide

  • Synonyms:

    Benzo[1,2]pyreno[4,5-b]oxirene,3b,4a-dihydro-;3b,4a-Dihydrobenzo[1,2]pyreno[4,5-b]oxirene;Benzo[a]pyrene 4,5-oxide;Benzo[a]pyrene 4,5-epoxide;Benzopyrene 4,5-epoxide;4,5-Dihydrobenzo[a]pyrene 4,5-oxide;(±)-Benzo[a]pyrene 4,5-epoxide;(±)-Benzo[a]pyrene 4,5-oxide;64437-52-1

  • Categories:

    Pharmaceutical Intermediates  >  Bulk Drug Intermediates

Description

Benzo[a]pyrene-4,5-oxide is a carbopolycyclic compound.

Benzo[a]pyrene 4,5-oxide Basic Attributes

268.315

268.31

Characteristics

12.5

4.7

1.0921 (rough estimate)

mmo-sat 250 ng/plate ENMUDM 7,839,85

Flammable; burning produces irritating fumes

Safety Information

Ventilated, low temperature and dry

Drug Information

Substances that increase the risk of NEOPLASMS in humans or animals. Both genotoxic chemicals, which affect DNA directly, and nongenotoxic chemicals, which induce neoplasms by other mechanism, are included. (See all compounds classified as Carcinogens.)

Benzo[a]pyrene-4,5-epoxide is a known human metabolite of Benzo[a]pyrene.

3b,4a-dihydrobenzo(1,2)pyreno(4,5-b)oxirene

Computed Properties

Molecular Weight:268.3
XLogP3:4.7
Hydrogen Bond Acceptor Count:1
Exact Mass:268.088815002
Monoisotopic Mass:268.088815002
Topological Polar Surface Area:12.5
Heavy Atom Count:21
Complexity:445
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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