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| CAS No.: | 67523-22-2 |
|---|---|
| Name: | 7,8-dihydro-7,8-dihydroxy-5-methylchrysene |
| Molecular Structure: | |
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| Formula: | C19H16O2 |
| Molecular Weight: | 276.35 |
| Synonyms: | 1,2-Chrysenediol,1,2-dihydro-11-methyl;7,8-Dihydro-7,8-dihydroxy-5-methylchrysene;Chrysene,7,8-dihydro-7,8-dihydroxy-5-methyl;7,8-CHRYSENEDIOL,7,8-DIHYDRO-5-METHYL; |
| Density: | 1.328g/cm3 |
| Boiling Point: | 528.8°Cat760mmHg |
| Flash Point: | 255.7°C |
| Safety: | Questionable carcinogen with experimental neoplastigenic data by skin contact. Mutation data reported. When heated to decomposition it emits acrid and irritating fumes. |
| PSA: | 40.46000 |
| LogP: | 3.72250 |
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Chemistry
IUPAC Name: 11-Methyl-1,2-dihydrochrysene-1,2-diol
Synonyms of 7,8-Dihydro-7,8-dihydroxy-5-methylchrysene (CAS NO.67523-22-2): Chrysene, 7,8-dihydro-7,8-dihydroxy-5-methyl- ; 1,2-Chrysenediol, 1,2-dihydro-11-methyl- ; 7,8-Chrysenediol, 7,8-dihydro-5-methyl-
CAS NO: 67523-22-2
Molecular Formula: C19H16O2
Molecular Weight: 276.3291
Molecular Structure : .png)
H bond acceptors: 2
H bond donors: 2
Freely Rotating Bonds: 2
Polar Surface Area: 18.46Å2
Index of Refraction: 1.768
Molar Refractivity: 86.33 cm3
Molar Volume: 208 cm3
Surface Tension: 61.9 dyne/cm
Density: 1.328 g/cm3
Flash Point: 255.7 °C
Enthalpy of Vaporization: 84.6 kJ/mol
Boiling Point: 528.8 °C at 760 mmHg
Vapour Pressure: 5.18E-12 mmHg at 25°C
InChI: InChI=1/C19H16O2/c1-11-10-16-14(8-9-17(20)19(16)21)15-7-6-12-4-2-3-5-13(12)18(11)15/h2-10,17,19-21H,1H3
InChIKey: SYSGUSYYWWVOTG-UHFFFAOYAN
Std. InChI: InChI=1S/C19H16O2/c1-11-10-16-14(8-9-17(20)19(16)21)15-7-6-12-4-2-3-5-13(12)18(11)15/h2-10,17,19-21H,1H3
Std. InChIKey: SYSGUSYYWWVOTG-UHFFFAOYSA-N
Toxicity Data With Reference
| 1. | mma-sat 2700 pmol/plate | CNREA8 Cancer Research. 38 (1978),2191. |
Safety Profile
Questionable carcinogen with experimental neoplastigenic data by skin contact. Mutation data reported. When 7,8-Dihydro-7,8-dihydroxy-5-methylchrysene (CAS NO.67523-22-2) is heated to decomposition, it emits acrid and irritating fumes.