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CAS No.: | 137897-99-5 |
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Name: | 3,3',5,5'-TETRACHLORODIPHENYL DISULFIDE |
Article Data: | 4 |
Molecular Structure: | |
Formula: | C12H6Cl4S2 |
Molecular Weight: | 356.124 |
Synonyms: | Bis(3,5-dichlorophenyl)disulfide; |
Density: | 1.599 g/cm3 |
Melting Point: | 66-69 °C(lit.) |
Boiling Point: | 429.733 °C at 760 mmHg |
Flash Point: | 197.066 °C |
PSA: | 50.60000 |
LogP: | 7.09960 |
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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