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Benzo[rst]pentaphene

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Name

Benzo[rst]pentaphene

EINECS 205-877-5
CAS No. 189-55-9 Density 1.313 g/cm3
PSA 0.00000 LogP 6.89040
Solubility N/A Melting Point 281.5°C
Formula C24H14 Boiling Point 552.3 °C at 760 mmHg
Molecular Weight 302.375 Flash Point 282 °C
Transport Information N/A Appearance N/A
Safety 36/37 Risk Codes 40
Molecular Structure Molecular Structure of 189-55-9 (DIBENZO(A,I)PYRENE) Hazard Symbols HarmfulXn
Synonyms

Benzo[rst]pentacene(7CI); 1,2:7,8-Dibenzpyrene; 3,4:9,10-Dibenzopyrene; Dibenzo[a,i]pyrene;Dibenzo[b,h]pyrene; NSC 87521

Article Data 18

Benzo[rst]pentaphene Chemical Properties

Molecular Formula: C24H14
Molar mass: 302.37 g/mol
EINECS: 205-877-5
Density: 1.313 g/cm3
Flash Point: 282 °C
Index of Refraction: 1.912
Boiling Point: 552.3 °C at 760 mmHg
Vapour Pressure: 1.12E-11 mmHg at 25°C
Storage temp: 2-8°C
Water solubility: Insoluble
Appearance: Colorless solid
Structure of Benzo[rst]pentaphene (189-55-9):

XLogP3-AA: 7.3
H-Bond Donor: 0
H-Bond Acceptor: 0
SMILES: c36ccc2cc1ccccc1c4c2c3c(cc4)c5ccccc5c6 
InChI: InChI=1/C24H14/c1-3-7-19-15(5-1)13-17-9-10-18-14-16-6-2-4-8-20(16)22-12-11-21(19)23(17)24(18)22/h1-14H 
InChIKey: TUGYIJVAYAHHHM-UHFFFAOYAB 
Std. InChI: InChI=1S/C24H14/c1-3-7-19-15(5-1)13-17-9-10-18-14-16-6-2-4-8-20(16)22-12-11-21(19)23(17)24(18)22/h1-14H 
Std. InChIKey: TUGYIJVAYAHHHM-UHFFFAOYSA-N 

Benzo[rst]pentaphene Toxicity Data With Reference

1.    

mma-sat 20 µg/plate

    PNASA6    Proceedings of the National Academy of Sciences of the United States of America. 72 (1975),5135.
2.    

mrc-esc 600 µg/well

    MUREAV    Mutation Research. 46 (1977),53.
3.    

dnd-esc 10 µmol/L

    MUREAV    Mutation Research. 89 (1981),95.
4.    

otr-ham:kdy 80 µg/L

    BJCAAI    British Journal of Cancer. 37 (1978),873.
5.    

msc-ham:lng 30 µg/L

    CNREA8    Cancer Research. 42 (1982),1646.

Benzo[rst]pentaphene Consensus Reports

NTP 10th Report on Carcinogens. IARC Cancer Review: Group 2B IMEMDT    IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man . 7 (1987),p. 56.(World Health Organization, Internation Agency for Research on Cancer,Lyon, France.: ) (Single copies can be ordered from WHO Publications Centre U.S.A., 49 Sheridan Avenue, Albany, NY 12210) ; Animal Sufficient Evidence IMEMDT    IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man . 3 (1973),p. 215.(World Health Organization, Internation Agency for Research on Cancer,Lyon, France.: ) (Single copies can be ordered from WHO Publications Centre U.S.A., 49 Sheridan Avenue, Albany, NY 12210) ; IMEMDT    IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man . 32 (1983),p. 337.(World Health Organization, Internation Agency for Research on Cancer,Lyon, France.: ) (Single copies can be ordered from WHO Publications Centre U.S.A., 49 Sheridan Avenue, Albany, NY 12210) . EPA Genetic Toxicology Program.

Benzo[rst]pentaphene Safety Profile

Confirmed carcinogen with experimental neoplastigenic and tumorigenic data. Mutation data reported. When heated to decomposition it emits acrid smoke and irritating fumes.
 

Hazard Codes: Xn
Risk Statements:
40:  Limited evidence of a carcinogenic effect
Safety Statements:
36:  Wear suitable protective clothing 
37:  Wear suitable gloves

Benzo[rst]pentaphene Specification

 Benzo[rst]pentaphene (189-55-9) also can be called Dibenzo[a,i]pyrene ; 3,4,9, 10-Dibenzopyrene ; 1,2,7,8-Dibenzopyrene ;and Dibenz[a,i]pyrene .Vigorous reactions, sometimes amounting to explosions, can result from the contact between aromatic hydrocarbons, such as Benzo[rst]pentaphene (189-55-9), and strong oxidizing agents. They can react exothermically with bases and with diazo compounds. Substitution at the benzene nucleus occurs by halogenation (acid catalyst), nitration, sulfonation, and the Friedel-Crafts reaction.

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