-
Name
1,11-Dimethylchrysene
- EINECS
- CAS No. 52171-92-3
- Density 1.142g/cm3
- Solubility
- Melting Point 196.4°C (estimate)
- Formula C20H16
- Boiling Point 460.2°Cat760mmHg
- Molecular Weight 256.36
- Flash Point 225.4°C
- Transport Information
- Appearance
- Safety Mutation data reported. Questionable carcinogen with experimental neoplastigenic data. When heated to decomposition it emits acrid smoke and irritating fumes. See also CHRYSENE.
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms CHRYSENE,1,11-DIMETHYL;5,7-Dimethylchrysene;
- PSA 0.00000
- LogP 5.76300
1,11-Dimethylchrysene Chemical Properties
Product Name: 1,11-Dimethylchrysene
CAS Registry Number: 52171-92-3
Synonyms: 1,11-Dimethylchrysene ; 5,7-Dimethylchrysene
Systematic Name: Chrysene, 1,11-dimethyl-
IUPAC Name: 1,11-Dimethylchrysene
Molecular Weight: 256.34104 [g/mol]
Molecular Formula: C20H16
XLogP3-AA: 6.4
Surface Tension: 49.1 dyne/cm
Density: 1.142 g/cm3
Flash Point: 225.4 °C
Enthalpy of Vaporization: 69.32 kJ/mol
Boiling Point: 460.2 °C at 760 mmHg
Vapour Pressure: 3.26E-08 mmHg at 25°C
Following is the molecular structure of 1,11-Dimethylchrysene (CAS NO.52171-92-3 ) is:
1,11-Dimethylchrysene Toxicity Data With Reference
| 1. | mma-sat 20 µg/plate | CNREA8 Cancer Research. 36 (1976),4525. |
1,11-Dimethylchrysene Consensus Reports
EPA Genetic Toxicology Program.
1,11-Dimethylchrysene Safety Profile
Mutation data reported. Questionable carcinogen with experimental neoplastigenic data. When heated to decomposition it emits acrid smoke and irritating fumes. See also CHRYSENE.
1,11-Dimethylchrysene Specification
Descriptors computed from structure, you can know some information about 1,11-Dimethylchrysene (CAS NO.52171-92-3 ) :
Canonical SMILES: CC1=CC=CC2=C3C=CC4=CC=CC=C4C3=C(C=C12)C
InChI: InChI=1S/C20H16/c1-13-6-5-9-17-18-11-10-15-7-3-4-8-16(15)20(18)14(2)12-19(13)17/h3-12H,1-2H3
InChIKey: HCLIIKXGJGYUBQ-UHFFFAOYSA-N
Exact Mass: 256.125201
MonoIsotopic Mass: 256.125201
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