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About This Item
Empirical Formula (Hill Notation):
C21H14
CAS Number:
Molecular Weight:
266.34
MDL number:
UNSPSC Code:
12352103
PubChem Substance ID:
NACRES:
NA.23
Recommended Products
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
Signal Word
Warning
Hazard Statements
Precautionary Statements
Hazard Classifications
Acute Tox. 4 Dermal - Acute Tox. 4 Inhalation - Acute Tox. 4 Oral
Storage Class Code
11 - Combustible Solids
WGK
WGK 3
Flash Point(F)
Not applicable
Flash Point(C)
Not applicable
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves
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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)
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
P L Chiu et al.
Chemico-biological interactions, 44(1-2), 155-168 (1983-04-01)
The dihydrodiols formed from the metabolism of benzo[a]pyrene (BaP) and 7-methylbenzo[a]pyrene (7-MBaP) by liver microsomes from male Sprague-Dawley rats treated with polychlorinated biphenyls (PCBs, Aroclor 1254) have been examined by circular dichroism (CD) spectropolarimetry. Comparisons with optically pure enantiomers obtained
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