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About This Item
Empirical Formula (Hill Notation):
C20H16O
CAS Number:
Molecular Weight:
272.34
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22
Assay
98%
mp
142-144 °C (lit.)
functional group
hydroxyl
SMILES string
OC1CCCc2c1cc3ccc4cccc5ccc2c3c45
InChI
1S/C20H16O/c21-18-6-2-5-15-16-10-9-13-4-1-3-12-7-8-14(11-17(15)18)20(16)19(12)13/h1,3-4,7-11,18,21H,2,5-6H2
InChI key
VKUQFYXBPGXTKI-UHFFFAOYSA-N
General description
7,8,9,10-Tetrahydrobenzo[a]pyren-7-ol (7-hydroxy-7,8,9,10-tetrahydrobenzo[a]pyrene), a polycyclic aromatic hydrocarbon (PAH), is a substituted benzopyrene. Its bromination reaction with N-bromosaccharin (NBSac) has been investigated. The sulfotransferase-assisted activation of 7-hydroxy-7,8,9,10-tetrahydrobenzo[a]pyrene to form electrophilic, mutagenic, or tumorigenic sulfuric acid ester metabolite, which binds covalently to DNA and leads to mutation, has been reported.
Application
7,8,9,10-Tetrahydrobenzo[a]pyren-7-ol may be used as a starting material in the synthesis of (±)-trans-7,8-dihydroxy-6-fluoro-7,8-dihydrobenzo[a]pyrene.
Storage Class Code
11 - Combustible Solids
WGK
WGK 3
Flash Point(F)
Not applicable
Flash Point(C)
Not applicable
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