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380903

Sigma-Aldrich

7-Methylbenzo[a]pyrene

98%

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About This Item

Empirical Formula (Hill Notation):
C21H14
CAS Number:
63041-77-0
Molecular Weight:
266.34
MDL number:
MFCD00028971
UNSPSC Code:
12352103
PubChem Substance ID:
24863776
NACRES:
NA.23

assay

98%

mp

219-220 °C (lit.)

SMILES string

Cc1cccc2c1cc3ccc4cccc5ccc2c3c45

InChI

1S/C21H14/c1-13-4-2-7-17-18-11-10-15-6-3-5-14-8-9-16(12-19(13)17)21(18)20(14)15/h2-12H,1H3

InChI key

PYVWGNPFWVQISD-UHFFFAOYSA-N

pictograms

Exclamation mark
GHS07

signalword

Warning

Hazard Classifications

Acute Tox. 4 Dermal - Acute Tox. 4 Inhalation - Acute Tox. 4 Oral

Storage Class

11 - Combustible Solids

wgk_germany

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

dust mask type N95 (US), Eyeshields, Gloves

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Certificates of Analysis (COA)

Lot/Batch Number
14114KY

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Oxidized metabolites of 7-methylbenzo[a]pyrene.
M Konieczny et al.
Carcinogenesis, 3(5), 573-575 (1982-01-01)
P L Chiu et al.
Chemico-biological interactions, 52(3), 265-277 (1985-01-01)
The enantiomers of trans-7,8-dihydroxy-7,8-dihydro-7-methylbenzo[a]pyrene (7-MBaP 7,8-dihydrodiol) and of trans-7,8-dihydroxy-7,8,9,10-tetrahydro-7-methylbenzo[a]pyrene (7-MBaP 7,8-tetrahydrodiol) were directly resolved by high-performance liquid chromatography (HPLC) using a commercially available column packed with an (R)-N-(3,5-dinitrobenzoyl)-phenylglycine derivative of gamma-aminopropylsilanized silica. The absolute configurations of the resolved enantiomers were
T Kinoshita et al.
Cancer research, 42(10), 4032-4038 (1982-10-01)
The ultimate carcinogenic form of benzo(a)pyrene (BP) is thought to result from metabolic activation at the 7 to 10 positions. Substitution by a methyl group at these positions would be expected to inhibit strongly their metabolism even though 7-methylbenzo(a)pyrene (7-MeBP)
William B Studabaker et al.
Journal of chromatography. A, 1492, 106-116 (2017-03-08)
Development of the Athabasca Oil Sands Region in northeastern Alberta, Canada has contributed polycyclic aromatic hydrocarbons (PAHs) and polycyclic aromatic compounds (PACs), which include alkyl PAHs and dibenzothiophenes, to the regional environment. A new analytical method was developed for quantification
T K Wong et al.
Chemico-biological interactions, 36(2), 153-166 (1981-08-01)
The 7-methylbenzo[a]pyrene (7-MBaP) was incubated with liver microsomes of rats pretreated with polychlorinated biphenyls (Aroclor 1254) (PCBs). Metabolites of 7-MBaP were isolated by both reversed-phase and normal-phage high performance liquid chromatography (HPLC) and were characterized by nuclear magnetic resonance, UV-visible
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