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Common molecules sample 52011 - Reciprocal Net Log in
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Empirical formula: C20H12
a: 4.535 Å
b: 20.400 Å
c: 13.490 Å
α (alpha): 90.00 °
β (beta): 97.00 °
γ (gamma): 90.00 °
Volume: 1238.71 Å3
Space group: P21/c
Calculated density: 1.353 g/cm3
Z: 4
Temperature: 22.0 °C
Formula weight: 252.315 g/mole
R(F): 0.0690
Common name: Benzo(a)pyrene
Common name: benz(a)pyrene
CSD refcode: BNPYRE10
Keyword: pollutant
Keyword: carcinogen
Short description: Benzo(a)pyrene is commonly found in cigarette smoke, coal tar and fuel exhaust.
IUPAC name: 3,4-benzopyrene
Citation of a publication: J.Iball, S.N.Scrimgeour, D.W.Young, Acta Crystallogr.,Sect.B:Struct.Crystallogr.Cryst.Chem. , 32, 328, 1976
Layman's explanation: Benzo(a)pyrene (BaP) is pale yellow monoclinic or orthorhombic crystal with a faint aromatic odor. Benzo(a)pyrene is a polycyclic aromatic hydrocarbon (PAH) formed as a result of incomplete combustion of organic materials. It is commonly found in cigarette smoke, coal tar, wood-burning stoves and furnaces, fuel exhaust from motor vehicles and other gasoline and diesel engines. BaP is classified as a probable human carcinogen and is a toxic pollutant. Human exposure to BaP occurs primarily through ingestion of contaminated food and water, inhalation of polluted air and tobacco smoke. BaP is not produced or used commercially in the US; however, it is used in chemical research as a positive control in a variety of short-term tests for possible mutagens and carcinogens of mutagenicity and carcinogenicity.
Lab name: Common molecules
Sample provider: Obtained courtesy of the Cambridge Structural Database
Status: Complete, visible to public
Repository Files:
BNPYRE10.cif bnpyre10.crt BNPYRE10.pdb

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