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4699-26-7

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Basic Information
CAS No.: 4699-26-7
Name: 6,12-DIMETHYLBENZO(1,2-b:5,4-b′)BIS(1)-BENZOTHIOPHENE
Molecular Structure:
Molecular Structure of 4699-26-7 (6,12-DIMETHYLBENZO(1,2-b:5,4-b′)BIS(1)-BENZOTHIOPHENE )
Formula: C20H14S2
Molecular Weight: 318.46
Synonyms: 6,12-Dimethyl-benzo<1,2-b:5,4-b'>dithionaphthen;
Density: 1.341g/cm3
Boiling Point: 542.7°Cat760mmHg
Flash Point: 214.3°C
Safety: Questionable carcinogen with experimental tumorigenic data. When heated to decomposition it emits toxic fumes of SOx.
PSA: 56.48000
LogP: 7.03920
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  • 6,12-DIMETHYLBENZO(1,2-b:5,4-b′)BIS(1)-BENZOTHIOPHENE

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    4699-26-7

    6,12-DIMETHYLBENZO(1,2-b:5,4-b′)BIS(1)-BENZOTHIOPHENE

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  • 6,12-DIMETHYLBENZO(1,2-b:5,4-b′)BIS(1)-BENZOTHIOPHENE

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    4699-26-7

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  • Benzo[1,2-b:5,4-b']bis[1]benzothiophene, 6,12-dimethyl-

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    4699-26-7

    Benzo[1,2-b:5,4-b']bis[1]benzothiophene, 6,12-dimethyl-

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  • 6,12-DIMETHYLBENZO(1,2-b:5,4-b′)BIS(1)-BENZOTHIOPHENE

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    4699-26-7

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Chemistry

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

Safety Profile

Questionable carcinogen with experimental tumorigenic data. When heated to decomposition it emits toxic fumes of SOx.

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- .