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7,8,9,10-TETRAHYDRO-BENZO[A]PYREN-7-OL

7,8,9,10-TETRAHYDRO-BENZO[A]PYREN-7-OL structure

CAS No:
6272-55-5
Formula:
C20H16O
Chemical Name:
7,8,9,10-TETRAHYDRO-BENZO[A]PYREN-7-OL
Synonyms:
7,8,9,10-TETRAHYDRO-BENZO[DEF]CHRYSEN-7-OL;7,8,9,10-tetrahydro-benzo(a)pyren-7-o;7-Hydroxy-7,8,9,10-tetrahydrobenzo[a]pyrene;7,8,9,10-TETRAHYDROBENZO(A)PYREN-7-OL, 9 9%;Benzo[a]pyren-7-ol, 7,8,9,10-tetrahydro-;7,8,9,10-Tetrahydrobenzo[pqr]tetraphen-7-ol;7,8,9,10-Tetrahydrobenzo[a]pyren-7-ol

Description

Yellow Solid

7,8,9,10-Tetrahydrobenzo[a]pyren-7-ol is a benzopyrene derivative that is activated by hepatic cytosol into electrophilic sulfuric acid esters, which are capable of forming covalent DNA adducts and inducing mutations.

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 withN-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.

7,8,9,10-TETRAHYDRO-BENZO[A]PYREN-7-OL Basic Attributes

Molecular Weight：

272.34

Exact Mass：

272.34

NSC Number：

30871

Color/Form：

Light brown to brown

HScode：

2906299090

Characteristics

PSA：

20.23000

XLogP3：

5.01

Density：

1.323±0.06 g/cm3(Predicted)

Melting Point：

142-144 °C(lit.)

Boiling Point：

508.5±19.0 °C(Predicted)

Flash Point：

189.2±13.7 °C

Refractive Index：

1.836

PKA：

14.36±0.20(Predicted)

Critical Temperature & Pressure：

2-8°C

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

RTECS Number：

DJ8304000

Drug Information

Metabolism/Metabolites：

7-hydroxy-7,8,9,10-tetrahydrobenzo[a]pyrene has known human metabolites that include 7,8,9,10-tetrahydrobenzo[a]pyren-7-yl hydrogen sulfate.

MeSH Entry Terms：

7-HTBP

7,8,9,10-TETRAHYDRO-BENZO[A]PYREN-7-OL Use and Manufacturing

7,8,9,10-Tetrahydro-benzo[a]pyren-7-ol is a Benzopyrene (B205800) derivative, activated by hepatic cytosol. 7,8,9,10-Tetrahydrobenzo[a]pyren-7-ol is a benzopyrene derivative that is activated by hepatic cytosol into electrophilic sulfuric acid esters, which are capable of forming covalent DNA adducts and inducing mutations.[Cayman Chemical]

Computed Properties

Molecular Weight:272.3
XLogP3:4.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Exact Mass:272.120115130
Monoisotopic Mass:272.120115130
Topological Polar Surface Area:20.2
Heavy Atom Count:21
Complexity:405
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 7,8,9,10-TETRAHYDRO-BENZO[A]PYREN-7-OL

Description
Basic Attributes
Characteristics
Safety Information
Drug Information
Use and Manufacturing
Computed Properties

7,8,9,10-TETRAHYDRO-BENZO[A]PYREN-7-OL

SDS

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