1,1'-Sulfonylbis(3,4-dimethylbenzene) supplier

Name
1,1'-Sulfonylbis(3,4-dimethylbenzene)
EINECS 248-991-0
CAS No. 28361-43-5
Article Data17
CAS DataBase
Density 1.129 g/cm³
Solubility
Melting Point 162 °C
Formula C₁₆H₁₈O₂S
Boiling Point 444.9 °C at 760 mmHg
Molecular Weight 274.384
Flash Point 267.8 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3,4-Xylylsulfone (7CI,8CI);3,3',4,4'-Tetramethyldiphenyl sulfone;3,4,3',4'-Tetramethyldiphenyl sulfone;Bis(3,4-Dimethylphenyl) sulfone;
PSA 42.52000
LogP 4.83380

1,1'-Sulfonylbis(3,4-dimethylbenzene) Specification

The 1,1'-Sulfonylbis(3,4-dimethylbenzene) is an organic compound with the formula C₁₆H₁₈O₂S. The systematic name of this chemical is 1,1'-sulfonylbis(3,4-dimethylbenzene). With the CAS registry number 28361-43-5, it is also named as Bis(3,4-dimethylphenyl) sulfone.

Physical properties about 1,1'-Sulfonylbis(3,4-dimethylbenzene) are: (1)ACD/LogP: 4.24; (2)ACD/LogD (pH 5.5): 4.24; (3)ACD/LogD (pH 7.4): 4.24; (4)ACD/BCF (pH 5.5): 983.18; (5)ACD/BCF (pH 7.4): 983.18; (6)ACD/KOC (pH 5.5): 4827.54; (7)ACD/KOC (pH 7.4): 4827.54; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 42.52 Å²; (11)Index of Refraction: 1.562; (12)Molar Refractivity: 78.77 cm³; (13)Molar Volume: 242.8 cm³; (14)Polarizability: 31.22×10^-24cm³; (15)Surface Tension: 39.8 dyne/cm; (16)Density: 1.129 g/cm³; (17)Flash Point: 267.8 °C; (18)Enthalpy of Vaporization: 67.57 kJ/mol; (19)Boiling Point: 444.9 °C at 760 mmHg; (20)Vapour Pressure: 1.08E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(c1cc(c(cc1)C)C)c2ccc(c(c2)C)C
(2)InChI: InChI=1/C16H18O2S/c1-11-5-7-15(9-13(11)3)19(17,18)16-8-6-12(2)14(4)10-16/h5-10H,1-4H3
(3)InChIKey: ZSIACQWHDVUCHB-UHFFFAOYAB
(4)Std. InChI: InChI=1S/C16H18O2S/c1-11-5-7-15(9-13(11)3)19(17,18)16-8-6-12(2)14(4)10-16/h5-10H,1-4H3
(5)Std. InChIKey: ZSIACQWHDVUCHB-UHFFFAOYSA-N

Product Name

1,1'-Sulfonylbis(3,4-dimethylbenzene)

1,1'-Sulfonylbis(3,4-dimethylbenzene) Specification

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