Product Name

  • Name

    3,3',5,5'-TETRACHLORODIPHENYL DISULFIDE

  • EINECS
  • CAS No. 137897-99-5
  • Article Data4
  • CAS DataBase
  • Density 1.599 g/cm3
  • Solubility
  • Melting Point 66-69 °C(lit.)
  • Formula C12H6Cl4S2
  • Boiling Point 429.733 °C at 760 mmHg
  • Molecular Weight 356.124
  • Flash Point 197.066 °C
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 137897-99-5 (3,3',5,5'-TETRACHLORODIPHENYL DISULFIDE)
  • Hazard Symbols
  • Synonyms Bis(3,5-dichlorophenyl)disulfide;
  • PSA 50.60000
  • LogP 7.09960

3,3',5,5'-Tetrachlorodiphenyl disulfide Specification

The 3,3',5,5'-Tetrachlorodiphenyl disulfide with the CAS number 137897-99-5 is also called Disulfide,bis(3,5-dichlorophenyl). The systematic name is 1,1'-disulfanediylbis(3,5-dichlorobenzene). Its molecular formula is C12H6Cl4S2. This chemical belongs to the following product categories: (1)Organic Building Blocks; (2)Sulfides/Disulfides; (3)Sulfur Compounds.

The properties of the chemical are: (1)ACD/LogP: 6.76; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.76; (4)ACD/LogD (pH 7.4): 6.76; (5)ACD/BCF (pH 5.5): 80704.2; (6)ACD/BCF (pH 7.4): 80704.2; (7)ACD/KOC (pH 5.5): 113223.35; (8)ACD/KOC (pH 7.4): 113223.35; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 50.6Å2; (13)Index of Refraction: 1.707; (14)Molar Refractivity: 86.79 cm3; (15)Molar Volume: 222.7 cm3; (16)Polarizability: 34.41×10-24cm3; (17)Surface Tension: 64.3 dyne/cm; (18)Enthalpy of Vaporization: 65.86 kJ/mol; (19)Vapour Pressure: 3.44×10-7 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc2cc(SSc1cc(Cl)cc(Cl)c1)cc(Cl)c2
(2)InChI: InChI=1/C12H6Cl4S2/c13-7-1-8(14)4-11(3-7)17-18-12-5-9(15)2-10(16)6-12/h1-6H
(3)InChIKey: JMQANWHMOHXBEA-UHFFFAOYAL

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