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| CAS No.: | 3697-24-3 |
|---|---|
| Name: | 5-METHYLCHRYSENE |
| Article Data: | 17 |
| Molecular Structure: | |
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|
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| Formula: | C19H14 |
| Molecular Weight: | 242.32 |
| Synonyms: | 5-Methylchrysene;NSC 407620 |
| Density: | 1.164g/cm3 |
| Melting Point: | 118.3°C |
| Boiling Point: | 449.4°C at 760 mmHg |
| Flash Point: | 217.8°C |
| Solubility: | Toxicity data (The meaning of any toxicological abbreviations which">
Stability
Toxicology
Toxicity data |
| Safety: | Confirmed carcinogen with experimental carcinogenic, neoplastigenic, and tumorigenic data. Mutation data reported. When heated to decomposition it emits acrid smoke and irritating fumes. See also 1-METHYLCHRYSENE; 2-METHYLCHRYSENE; 3-METHYLCHRYSENE; 4-METHYLCHRYSENE; 6-METHYLCHRYSENE. |
| PSA: | 0.00000 |
| LogP: | 5.45460 |
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Chemistry
Molecular Formula: C19H14
Molar mass: 242.3145 g/mol
Density: 1.164 g/cm3
Flash Point: 217.8 °C
Index of Refraction: 1.748
Boiling Point: 449.4 °C at 760 mmHg
Vapour Pressure: 7.61E-08 mmHg at 25°C
Storage temp: 2-8°C
Water solubility: Insoluble
Appearance: Purple crystals
Product categories of 5-Methylchrysene (3697-24-3): Alphabetic;META - METH
Structure of 5-Methylchrysene (3697-24-3):
XLogP3-AA: 6
H-Bond Donor: 0
H-Bond Acceptor: 0
Systematic Name: 5-Methylchrysene
SMILES: c24c1ccccc1cc(c2c3ccccc3cc4)C
InChI: InChI=1/C19H14/c1-13-12-15-7-3-4-8-16(15)18-11-10-14-6-2-5-9-17(14)19(13)18/h2-12H,1H3
InChIKey: GOHBXWHNJHENRX-UHFFFAOYAL
Std. InChI: InChI=1S/C19H14/c1-13-12-15-7-3-4-8-16(15)18-11-10-14-6-2-5-9-17(14)19(13)18/h2-12H,1H3
Std. InChIKey: GOHBXWHNJHENRX-UHFFFAOYSA-N
Toxicity Data With Reference
| 1. | mma-sat 3 µg/plate | CRNGDP Carcinogenesis. 7 (1986),673. | ||
| 2. | dnd-mus-skn 467 µmol/L | CRNGDP Carcinogenesis. 4 (1983),843. |
Consensus Reports
NTP 10th Report on Carcinogens. IARC Cancer Review: Group 3 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 . 32 ,1983,p. 379.(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 carcinogenic, neoplastigenic, and tumorigenic data. Mutation data reported. When heated to decomposition it emits acrid smoke and irritating fumes. See also 1-METHYLCHRYSENE; 2-METHYLCHRYSENE; 3-METHYLCHRYSENE; 4-METHYLCHRYSENE; 6-METHYLCHRYSENE.
Specification
5-Methylchrysene (3697-24-3) also can be called Chrysene, 6-methyl- ;and ; Chrysene, 5-methyl- .Vigorous reactions, such as 5-Methylchrysene (3697-24-3), sometimes amounting to explosions, can result from the contact between aromatic hydrocarbons and strong oxidizing agents. They can react exothermically with bases and with diazo compounds. Substitution at the benzene nucleus occurs by nitration, halogenation , sulfonation, and the Friedel-Crafts reaction.