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Methane-d3,sulfonylbis- (9CI)

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Name

Methane-d3,sulfonylbis- (9CI)

EINECS
CAS No. 22230-82-6 Density 1.212 g/cm3
Solubility Melting Point 107-109 °C(lit.)
Formula C2D6O2S Boiling Point 240.9 °C at 760 mmHg
Molecular Weight 100.17 Flash Point 132.7 °C
Transport Information Appearance
Safety Risk Codes
Molecular Structure Molecular Structure of 22230-82-6 (Methane-d<sub>3</sub>,sulfonylbis- (9CI)) Hazard Symbols
Synonyms

Methane-d3, 1,1'-sulfonylbis-;

 

Methane-d3,sulfonylbis- (9CI) Specification

The Methane-d3,sulfonylbis- (9CI), with the CAS registry number of 22230-82-6, is also known as Methane-d3, 1,1'-sulfonylbis-. This chemical's molecular formula is C2D6O2S and molecular weight is 100.17. What's more, its systematic name is Bis[(2H3)methyl] sulfone. In addition, it must be stored in airtight containers and placed in a dry, cool place.

Physical properties about the Methane-d3,sulfonylbis- (9CI) are: (1)# of Rule of 5 Violations: 0; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 5.35; (5)ACD/KOC (pH 7.4): 5.35; (6)#H bond acceptors: 2; (7)#H bond donors: 0; (8)#Freely Rotating Bonds: 0; (9)Polar Surface Area: 42.52 Å2; (10)Index of Refraction: 1.402; (11)Molar Refractivity: 20.11 cm3; (12)Molar Volume: 82.5 cm3; (13)Surface Tension: 31 dyne/cm; (14)Density: 1.212 g/cm3; (15)Flash Point: 132.7 °C; (16)Enthalpy of Vaporization: 45.85 kJ/mol; (17)Boiling Point: 240.9 °C at 760 mmHg; (18)Vapour Pressure: 0.0573 mmHg at 25 °C.

Preparation: this chemical is prepared by Dimethylsulfane. The reaction needs reagents O2, Methylene blue, <18O,2H6>DMSO and solvent CD3CN. The reaction time is 10 min. The yield is about 77.5 %.

The Methane-d3,sulfonylbis- (9CI) can be obtained by Dimethylsulfane

Uses: it is used to produce other chemicals. For example, it is used to produce bis-Trideuteriomethyl-sulfane. This reaction needs reagent Ph3P. Meanwhile, it needs solvent CCl4. The yield is about 70 %.

The Methane-d3,sulfonylbis- (9CI) can react to get bis-Trideuteriomethyl-sulfane

You can still convert the following datas into molecular structure:
(1) SMILES: [2H]C([2H])([2H])S(=O)(=O)C([2H])([2H])[2H]
(2) InChI: InChI=1/C2H6O2S/c1-5(2,3)4/h1-2H3/i1D3,2D3
(3) InChIKey: HHVIBTZHLRERCL-WFGJKAKNET 

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