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Benzo[a]pyrene 4,5-oxide

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

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Description

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

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

Molecular Weight：

268.315

Exact Mass：

268.31

Characteristics

PSA：

12.5

XLogP3：

4.7

Density：

1.0921 (rough estimate)

Toxicity：

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

Flammability characteristics：

Flammable; burning produces irritating fumes

Safety Information

Storage features：

Ventilated, low temperature and dry

Drug Information

MeSH：

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.)

Metabolism/Metabolites：

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

MeSH Entry Terms：

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

Recommended Suppliers of Benzo[a]pyrene 4,5-oxide

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CAS No.: 37574-47-3

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