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6954-27-4

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Basic Information
CAS No.: 6954-27-4
Name: Biphenyl-4,4'-dithiol
Article Data: 13
Molecular Structure:
Molecular Structure of 6954-27-4 (Biphenyl-4,4'-dithiol)
Formula: C12H10 S2
Molecular Weight: 218.343
Synonyms: 4,4'-Biphenyldithiol(6CI,7CI,8CI); 4,4'-Dimercaptobiphenyl; 4,4'-Dimercaptodiphenyl;4,4'-Diphenyldithiol; NSC 38039
EINECS: 230-136-8
Density: 1.213 g/cm3
Melting Point: 165-174 ºC
Boiling Point: 366.4 °C at 760 mmHg
Flash Point: 176.5 °C
Appearance: White to Tan Solid, Powder, Crystals, Crystalline Powder and/or Chunks
Hazard Symbols:
Risk Codes: R22   
PSA: 77.60000
LogP: 3.93100
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Chemistry

Molecular Structure of Biphenyl-4,4'-dithiol (CAS No.6954-27-4):

Molecular Formula: C12H10S2 
Molecular Weight: 218.3378
CAS No: 6954-27-4
H bond acceptors: 0
H bond donors: 0
Freely Rotating Bonds: 3
Polar Surface Area: 50.6 Å2
Index of Refraction: 1.669
Molar Refractivity: 67.19 cm3
Molar Volume: 179.9 cm3
Surface Tension: 49.6 dyne/cm
Density: 1.213 g/cm3
Flash Point: 176.5 °C
Enthalpy of Vaporization: 58.87 kJ/mol
Boiling Point: 366.4 °C at 760 mmHg
Vapour Pressure: 3.1E-05 mmHg at 25°C
InChI: InChI=1/C12H10S2/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h1-8,13-14H
InChIKey: VRPKUXAKHIINGG-UHFFFAOYAF
Std. InChI: InChI=1S/C12H10S2/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h1-8,13-14H
Std. InChIKey: VRPKUXAKHIINGG-UHFFFAOYSA-N
IUPAC Name: 4-(4-Sulfanylphenyl)benzenethiol
Product Categories: Biphenyls (for High-Performance Polymer Research);Functional Materials;Reagent for High-Performance Polymer Research

Safety Profile

Hazard Codes: HarmfulXn
Risk Statements: 22
R22:Harmful if swallowed.

Specification

   Biphenyl-4,4'-dithiol (CAS No.6954-27-4), its synonyms are (1,1'-biphenyl)-4,4'-dithiol ; 4,4′-Dimercaptobiphenyl ; 4,4'-Biphenyldithiol ; 4,4'-Dimercaptobiphenyl ; 4,4'-Thiobiphenyl .