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| CAS No.: | 63040-49-3 |
|---|---|
| Name: | 5,6-Dimethoxydibenz[a,h]anthracene |
| Molecular Structure: | |
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| Formula: | C24H18O2 |
| Molecular Weight: | 338.42 |
| Synonyms: | 3,4-Dimethoxy-dba;3,4-Dimethoxy-1,2:5,6-dibenzanthracene; |
| Density: | 1.235g/cm3 |
| Boiling Point: | 567.5°Cat760mmHg |
| Flash Point: | 230.8°C |
| Safety: | Questionable carcinogen with experimental neoplastigenic and tumorigenic data. When heated to decomposition it emits acrid smoke and irritating fumes. |
| PSA: | 18.46000 |
| LogP: | 6.31660 |
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Chemistry
IUPAC Name: 12,13-dimethoxynaphtho[1,2-b]phenanthrene
Empirical Formula: C24H18O2
Molecular Weight: 338.3985g/mol
Structure of 5,6-Dimethoxydibenz(a,h)anthracene (CAS NO.63040-49-3):
Index of Refraction: 1.744
Molar Refractivity: 110.98 cm3
Molar Volume: 273.9 cm3
Polarizability: 43.99×10-24cm3
Surface Tension: 52.1 dyne/cm
Density: 1.235 g/cm3
Flash Point: 230.8 °C
Enthalpy of Vaporization: 82.02 kJ/mol
Boiling Point: 567.5 °C at 760 mmHg
Vapour Pressure: 2.61E-12 mmHg at 25°C
Classification Code: Tumor data
Canonical SMILES: COC1=C(C2=C(C=C3C=CC4=CC=CC=C4C3=C2)C5=CC=CC=C51)OC
InChI: InChI=1S/C24H18O2/c1-25-23-19-10-6-5-9-18(19)21-13-16-12-11-15-7-3-4-8-17(15)20(16)14-22(21)24(23)26-2/h3-14H,1-2H3
InChIKey: CTLSVZBGALBGBV-UHFFFAOYSA-N
Safety Profile
Questionable carcinogen with experimental neoplastigenic and tumorigenic data. When heated to decomposition it emits acrid smoke and irritating fumes.
Specification
5,6-Dimethoxydibenz(a,h)anthracene , its cas register number is 63040-49-3. It also can be called 3,4-Dimethoxy-1,2:5,6-dibenzanthracene ; 3,4-Dimethoxy-dba ; 4-06-00-07046 (Beilstein Handbook Reference) ; BRN 3427604 .