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| CAS No.: | 568-81-0 |
|---|---|
| Name: | 6,12-Dimethylbenz[a]anthracene |
| Molecular Structure: | |
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| Formula: | C20H16 |
| Molecular Weight: | 256.36 |
| Synonyms: | 6,12-Dimethylbenzanthracen;6,12-Dimethylbenzanthracen;4,9-Dimethyl-1,2-benzanthracene;6,12-dimethyltetraphene; |
| Density: | 1.142g/cm3 |
| Melting Point: | 75°C |
| Boiling Point: | 463.5°C at 760 mmHg |
| Flash Point: | 227.3°C |
| Safety: | Questionable carcinogen with experimental tumorigenic data. When heated to decomposition it emits acrid smoke and irritating fumes. See also DIMETHYLBENZANTHRACENE. |
| PSA: | 0.00000 |
| LogP: | 5.76300 |
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Chemistry
IUPAC Name: 6,12-dimethylbenzo[a]anthracene
Empirical Formula: C20H16
Molecular Weight: 256.341g/mol
Structure of 6,12-Dimethylbenz(a)anthracene (CAS NO.568-81-0):
Index of Refraction: 1.728
Molar Refractivity: 89.43 cm3
Molar Volume: 224.3 cm3
Polarizability: 35.45× 10-24cm3
Surface Tension: 49.1 dyne/cm
Density: 1.142 g/cm3
Flash Point: 227.3 °C
Enthalpy of Vaporization: 69.69 kJ/mol
Boiling Point: 463.5 °C at 760 mmHg
Vapour Pressure: 2.51E-08 mmHg at 25°C
Classification Code: Tumor data
Canonical SMILES: CC1=CC2=CC=CC=C2C3=C(C4=CC=CC=C4C=C13)C
InChI: InChI=1S/C20H16/c1-13-11-15-7-4-6-10-18(15)20-14(2)17-9-5-3-8-16(17)12-19(13)20/h3-12H,1-2H3
InChIKey: NHXNPBTUMFWNNT-UHFFFAOYSA-N
Safety Profile
Questionable carcinogen with experimental tumorigenic data. When heated to decomposition it emits acrid smoke and irritating fumes. See also DIMETHYLBENZANTHRACENE.
Specification
6,12-Dimethylbenz(a)anthracene , its cas register number is 568-81-0. It also can be called 3-05-00-02412 (Beilstein Handbook Reference) ; 4,9-Dimethyl-1,2-benzanthracene ; BRN 1962611 . When 6,12-Dimethylbenz(a)anthracene (CAS NO.568-81-0) is heated to decomposition, it emits acrid smoke and irritating fumes.