CAS 6272-55-5|7,8,9,10-Tetrahydrobenzo[pqr]tetraphen-7-ol

Introduction：Basic information about CAS 6272-55-5|7,8,9,10-Tetrahydrobenzo[pqr]tetraphen-7-ol, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.

Table of Contents

1. Names
2. BiologicalActivity
3. Chemical & Physical Properties
4. Toxicological Information
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
MUTATION DATA
5. Safety Information
6. Customs
7. Articles4
8. Synonyms

Common Name	7,8,9,10-Tetrahydrobenzo[pqr]tetraphen-7-ol
CAS Number	6272-55-5	Molecular Weight	272.340
Density	1.3±0.1 g/cm3	Boiling Point	508.5±19.0 °C at 760 mmHg
Molecular Formula	C₂₀H₁₆O	Melting Point	142-144ºC(lit.)
MSDS	ChineseUSA	Flash Point	189.2±13.7 °C

Names

Name	7,8,9,10-tetrahydrobenzo[a]pyren-7-ol
Synonym	More Synonyms

BiologicalActivity

Description	7,8,9,10-Tetrahydrobenzo[a]pyren-7-ol is a benzopyrene derivative that is activated by hepatic cytosol into electrophilic sulfuric acid esters[1], which are capable of forming covalent DNA adducts and inducing mutations[2].
Related Catalog	Research Areas >>CancerSignaling Pathways >>Others >>Others
References	[1]. Glatt H, Pauly K, Frank H, Seidel A, Oesch F, Harvey RG, Werle-Schneider G. Substance-dependent sex differences in the activation of benzylic alcohols to mutagens by hepatic sulfotransferases of the rat. Carcinogenesis. 1994 Nov;15(11):2605-11. [2]. Surh YJ, Tannenbaum SR. Sulfotransferase-mediated activation of 7,8,9,10-tetrahydro-7-ol, 7,8-dihydrodiol, and 7,8,9,10-tetraol derivatives of benzo[a]pyrene. Chem Res Toxicol. 1995 Jul-Aug;8(5):693-8.

Description

7,8,9,10-Tetrahydrobenzo[a]pyren-7-ol is a benzopyrene derivative that is activated by hepatic cytosol into electrophilic sulfuric acid esters[1], which are capable of forming covalent DNA adducts and inducing mutations[2].

Related Catalog

Research Areas >>CancerSignaling Pathways >>Others >>Others

References

[1]. Glatt H, Pauly K, Frank H, Seidel A, Oesch F, Harvey RG, Werle-Schneider G. Substance-dependent sex differences in the activation of benzylic alcohols to mutagens by hepatic sulfotransferases of the rat. Carcinogenesis. 1994 Nov;15(11):2605-11.

[2]. Surh YJ, Tannenbaum SR. Sulfotransferase-mediated activation of 7,8,9,10-tetrahydro-7-ol, 7,8-dihydrodiol, and 7,8,9,10-tetraol derivatives of benzo[a]pyrene. Chem Res Toxicol. 1995 Jul-Aug;8(5):693-8.

Chemical & Physical Properties

Density	1.3±0.1 g/cm3
Boiling Point	508.5±19.0 °C at 760 mmHg
Melting Point	142-144ºC(lit.)
Molecular Formula	C₂₀H₁₆O
Molecular Weight	272.340
Flash Point	189.2±13.7 °C
Exact Mass	272.120117
PSA	20.23000
LogP	5.01
Vapour Pressure	0.0±1.4 mmHg at 25°C
Index of Refraction	1.836
InChIKey	VKUQFYXBPGXTKI-UHFFFAOYSA-N
SMILES	OC1CCCc2c1cc1ccc3cccc4ccc2c1c34

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: DJ8304000

CHEMICAL NAME :: Benzo(a)pyren-7-ol, 7,8,9,10-tetrahydro-

CAS REGISTRY NUMBER :: 6272-55-5

BEILSTEIN REFERENCE NO. :: 2282608

LAST UPDATED :: 199612

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C20-H16-O

MOLECULAR WEIGHT :: 272.36

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

MUTATION DATA

TYPE OF TEST :: Mutation in microorganisms

TEST SYSTEM :: Bacteria - Salmonella typhimurium

DOSE/DURATION :: 50 umol/L

REFERENCE :: CRNGDP Carcinogenesis (London). (Oxford Univ. Press, Pinkhill House, Southfield Road, Eynsham, Oxford OX8 1JJ, UK) V.1- 1980- Volume(issue)/page/year: 15,2605,1994

Safety Information

Hazard Codes	Xn
RIDADR	NONH for all modes of transport
RTECS	DJ8304000
HS Code	2906299090

Customs

HS Code	2906299090
Summary	2906299090 other aromatic alcohols。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:5.5%。General tariff:30.0%

Articles4

Synthesis of (+/-)-trans-7,8-Dihydrodiol of 6-Fluoro-benzo[a]pyrene via Hydroxyl-Directed Regioselective Functionalization of Substituted Pyrene.

J. Org. Chem. 64(6) , 1902-1907, (1999)

Synthesis of (+/-)-trans-7,8-dihydroxy-6-fluoro-7,8-dihydrobenzo[a]pyrene, the metabolite from 6-fluoro-benzo[a]pyrene, is described. Position 6 of 7,8,9,10-tetrahydrobenzo[a]pyren-7-ol (1) was functi...

Recent Progress in the Use of N-Halo Compounds in Organic Synthesis. Veisi H, et al.

Org. Prep. Proced. Int. 43(6) , 489-540, (2011)

Sulfotransferase-mediated activation of 7,8,9,10-tetrahydro-7-ol, 7,8-dihydrodiol, and 7,8,9,10-tetraol derivatives of benzo[a]pyrene.

Chem. Res. Toxicol. 8(5) , 693-8, (1995)

Some hydroxymethyl-substituted polycyclic aromatic hydrocarbons have been shown to be converted to electrophilic, mutagenic, or tumorigenic sulfuric acid ester metabolites by cytosolic sulfotransferas...

Synonyms

7,8,9,10-Tetrahydrobenzo[pqr]tetraphen-7-ol

MFCD00192475

Benzo[a]pyren-7-ol, 7,8,9,10-tetrahydro-

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