Benzenesulfonylchloride, 4,4'-dithiobis- supplier

Name
BIS(4-CHLOROSULFONYLPHENYL)DISULFIDE
EINECS
CAS No. 27738-91-6
Article Data5
CAS DataBase
Density 1.734 g/cm³
Solubility
Melting Point
Formula C₁₂H₈Cl₂O₄S₄
Boiling Point 522.519 °C at 760 mmHg
Molecular Weight 415.363
Flash Point 269.81 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Benzenesulfonylchloride, 4,4'-dithiodi- (6CI,8CI);4,4'-Bis(chlorosulfonyl)diphenyl disulfide;Bis(4-(chlorosulfonyl)benzene)disulfide;4,4'-disulfanediyldibenzenesulfonyl chloride;
PSA 135.64000
LogP 6.50260

Benzenesulfonylchloride, 4,4'-dithiobis- Specification

The Benzenesulfonylchloride, 4,4'-dithiobis-, with the CAS registry number 27738-91-6, has the systematic name of 4,4'-disulfanediyldibenzenesulfonyl chloride. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C₁₂H₈Cl₂O₄S₄.

The characteristics of Benzenesulfonylchloride, 4,4'-dithiobis- are as followings: (1)ACD/LogP: 2.79; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 5; (4)ACD/LogD (pH 7.4): 5; (5)ACD/BCF (pH 5.5): 2078; (6)ACD/BCF (pH 7.4): 2078; (7)ACD/KOC (pH 5.5): 8248; (8)ACD/KOC (pH 7.4): 8248; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 135.64 Å²; (13)Index of Refraction: 1.722; (14)Molar Refractivity: 94.787 cm³; (15)Molar Volume: 239.536 cm³; (16)Polarizability: 37.576×10^-24cm³; (17)Surface Tension: 79.778 dyne/cm; (18)Density: 1.734 g/cm³; (19)Flash Point: 269.81 °C; (20)Enthalpy of Vaporization: 76.599 kJ/mol; (21)Boiling Point: 522.519 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: ClS(=O)(=O)c2ccc(SSc1ccc(cc1)S(Cl)(=O)=O)cc2
(2)InChI: InChI=1/C12H8Cl2O4S4/c13-21(15,16)11-5-1-9(2-6-11)19-20-10-3-7-12(8-4-10)22(14,17)18/h1-8H
(3)InChIKey: VUKZJNCBRXLCAA-UHFFFAOYAL

Product Name

BIS(4-CHLOROSULFONYLPHENYL)DISULFIDE

Benzenesulfonylchloride, 4,4'-dithiobis- Specification

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