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Cas Database |
| Name |
5,6-Dimethylchrysene |
EINECS | N/A |
| CAS No. | 3697-27-6 | Density | 1.142g/cm3 |
| PSA | 0.00000 | LogP | 5.76300 |
| Solubility | 25ug/L(27 oC) | Melting Point |
129.3°C |
| Formula | C20H16 | Boiling Point | 466.5°Cat760mmHg |
| Molecular Weight | 256.36 | Flash Point | 229.1°C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Questionable carcinogen with experimental tumorigenic data. When heated to decomposition it emits acrid smoke and irritating fumes. See also CHRYSENE. | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
Chrysene,5,6-dimethyl;5,6-Dimethylchrysen;Chrysene, 5,6-dimethyl-;1,2-Dimethylchrysen;5,6-dimethyl-chrysene; |
Article Data | 6 |
5,6-Dimethylchrysene Chemical Properties
Molecule structure of 5,6-Dimethylchrysene (CAS NO.3697-27-6):
IUPAC Name: 5,6-Dimethylchrysene
Molecular Weight: 256.34104 g/mol
Molecular Formula: C20H16
Density: 1.142 g/cm3
Boiling Point: 466.5 °C at 760 mmHg
Flash Point: 229.1 °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: 70.04 kJ/mol
Vapour Pressure: 1.97E-08 mmHg at 25 °C
XLogP3-AA: 6.4
Exact Mass: 256.125201
MonoIsotopic Mass: 256.125201
Heavy Atom Count: 20
Complexity: 346
Canonical SMILES: CC1=C(C2=C(C=CC3=CC=CC=C32)C4=CC=CC=C14)C
InChI: InChI=1S/C20H16/c1-13-14(2)20-17-9-4-3-7-15(17)11-12-19(20)18-10-6-5-8-16(13)18/h3-12H,1-2H3
InChIKey of 5,6-Dimethylchrysene (CAS NO.3697-27-6): SDOJHDGZFOGOFD-UHFFFAOYSA-N
5,6-Dimethylchrysene Safety Profile
Questionable carcinogen with experimental tumorigenic data. When heated to decomposition it emits acrid smoke and irritating fumes. See also CHRYSENE.
5,6-Dimethylchrysene Specification
5,6-Dimethylchrysene (CAS NO.3697-27-6) is also named as 4-05-00-02590 (Beilstein Handbook Reference) ; BRN 2266344 ; Chrysene, 5,6-dimethyl- .
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