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| CAS No.: | 189-55-9 |
|---|---|
| Name: | DIBENZO(A,I)PYRENE |
| Article Data: | 18 |
| Molecular Structure: | |
|
|
|
| Formula: | C24H14 |
| Molecular Weight: | 302.375 |
| 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 |
| EINECS: | 205-877-5 |
| Density: | 1.313 g/cm3 |
| Melting Point: | 281.5°C |
| Boiling Point: | 552.3 °C at 760 mmHg |
| Flash Point: | 282 °C |
| Hazard Symbols: |
 Xn
|
| Risk Codes: | 40 |
| Safety: | 36/37 |
| PSA: | 0.00000 |
| LogP: | 6.89040 |
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Chemistry
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
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. |
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.
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.gif){kind=small}
Risk Statements:
40: Limited evidence of a carcinogenic effect
Safety Statements:
36: Wear suitable protective clothing
37: Wear suitable gloves
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.