-
Name
5,11-dimethylchrysene
- EINECS
- CAS No. 14207-78-4
- Article Data3
- CAS DataBase
- Density 1.142g/cm3
- Solubility
- Melting Point 196.4°C (estimate)
- Formula C20H16
- Boiling Point 463.5°Cat760mmHg
- Molecular Weight 256.347
- Flash Point 227.3°C
- Transport Information
- Appearance
- Safety Questionable carcinogen with experimental tumorigenic data. When heated to decomposition it emits acrid smoke and irritating fumes. See also CHRYSENE.
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms 5,11-Dimethylchrysene
- PSA 0.00000
- LogP 5.76300
5,11-Dimethylchrysene Chemical Properties
Molecule structure of 5,11-Dimethylchrysene (CAS NO.14207-78-4):
IUPAC Name: 5,11-Dimethylchrysene
Molecular Weight: 256.34104 g/mol
Molecular Formula C20H16
Density: 1.142 g/cm3
Boiling Point: 463.5 °C at 760 mmHg
Flash Point: 227.3 °C
Index of Refraction: 1.728
Molar Refractivity: 89.43 cm3
Molar Volume: 224.3 cm3
Polarizability: 35.45×10-24 cm3
Surface Tension: 49.1 dyne/cm
Enthalpy of Vaporization: 69.69 kJ/mol
Vapour Pressure: 2.51E-08 mmHg at 25 °C
XLogP3-AA: 6.4
Exact Mass: 256.125201
MonoIsotopic Mass: 256.125201
Heavy Atom Count: 20
Complexity: 312
Canonical SMILES: CC1=CC2=CC=CC=C2C3=C1C4=CC=CC=C4C=C3C
InChI: InChI=1S/C20H16/c1-13-11-15-7-3-6-10-18(15)20-14(2)12-16-8-4-5-9-17(16)19(13)20/h3-12H,1-2H3
InChIKey of 5,11-Dimethylchrysene (CAS NO.14207-78-4): XNZPTUHWIUJQKB-UHFFFAOYSA-N
5,11-Dimethylchrysene Safety Profile
Questionable carcinogen with experimental tumorigenic data. When heated to decomposition it emits acrid smoke and irritating fumes. See also CHRYSENE.
5,11-Dimethylchrysene Specification
5,11-Dimethylchrysene (CAS NO.14207-78-4) is also named as BRN 2105855 ; Chrysene, 5,11-dimethyl- .
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