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| Name |
6,12-Dimethylbenzo(1,2-b:5,4-b')bis(1)benzothiophene |
EINECS | N/A |
| CAS No. | 4699-26-7 | Density | 1.341g/cm3 |
| PSA | 56.48000 | LogP | 7.03920 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C20H14S2 | Boiling Point | 542.7°Cat760mmHg |
| Molecular Weight | 318.46 | Flash Point | 214.3°C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Questionable carcinogen with experimental tumorigenic data. When heated to decomposition it emits toxic fumes of SOx. | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
6,12-Dimethyl-benzo<1,2-b:5,4-b'>dithionaphthen; |
6,12-Dimethylbenzo(1,2-b:5,4-b')bis(1)benzothiophene Chemical Properties
Empirical Formula: C20H14S2
Molecular Weight: 318.4552g/mol
Structure of 6,12-Dimethylbenzo(1,2-b:5,4-b')bis(1)benzothiophene (CAS NO.4699-26-7):
Index of Refraction: 1.827
Molar Refractivity: 104.04 cm3
Molar Volume: 237.4 cm3
Polarizability: 41.24×10-24cm3
Surface Tension: 61.2 dyne/cm
Density: 1.341 g/cm3
Flash Point: 214.3 °C
Enthalpy of Vaporization: 79.01 kJ/mol
Boiling Point: 542.7 °C at 760 mmHg
Vapour Pressure: 2.74E-11 mmHg at 25°C
Classification Code: Tumor data
Canonical SMILES: CC1=C2C3=CC=CC=C3SC2=C(C4=C1C5=CC=CC=C5S4)C
InChI: InChI=1S/C20H14S2/c1-11-17-13-7-3-5-9-15(13)21-19(17)12(2)20-18(11)14-8-4-6-10-16(14)22-20/h3-10H,1-2H3
InChIKey: CYIDONDRRPRIHZ-UHFFFAOYSA-N
6,12-Dimethylbenzo(1,2-b:5,4-b')bis(1)benzothiophene Safety Profile
Questionable carcinogen with experimental tumorigenic data. When heated to decomposition it emits toxic fumes of SOx.
6,12-Dimethylbenzo(1,2-b:5,4-b')bis(1)benzothiophene Specification
6,12-Dimethylbenzo(1,2-b:5,4-b')bis(1)benzothiophene , its cas register number is 4699-26-7. It also can be called 5-19-02-00222 (Beilstein Handbook Reference) ; BRN 0032915 ; Benzo(1,2-b:5,4-b')bis(1)benzothiophene, 6,12-dimethyl- .
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