Product Name

  • Name

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

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

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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