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CAS No.: | 50890-51-2 |
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Name: | 1-chloro-2-(methylsulfonyl)ethane(SALTDATA: FREE) |
Article Data: | 13 |
Molecular Structure: | |
Formula: | C3H7ClO2S |
Molecular Weight: | 142.606 |
Synonyms: | Sulfone,2-chloroethyl methyl (6CI);1-Chloro-2-(methylsulfonyl)ethane;2-Chloroethylmethyl sulfone;NSC 191945; |
Density: | 1.29 g/cm3 |
Boiling Point: | 292.8 °C at 760 mmHg |
Flash Point: | 130.9 °C |
PSA: | 42.52000 |
LogP: | 1.35060 |
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The Ethane,1-chloro-2-(methylsulfonyl)-, with the CAS registry number 50890-51-2, is also known as Sulfone,2-chloroethyl methyl (6CI). This chemical's molecular formula is C3H7ClO2S and molecular weight is 142.6045. What's more, its IUPAC name is 1-Chloro-2-methylsulfonylethane.
Physical properties about Ethane,1-chloro-2-(methylsulfonyl)- are: (1)ACD/LogP: -0.49; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 42.52 Å2; (7)Index of Refraction: 1.44; (8)Molar Refractivity: 29.58 cm3; (9)Molar Volume: 110.4 cm3; (10)Polarizability: 11.72×10-24 cm3; (11)Surface Tension: 37.3 dyne/cm; (12)Density: 1.29 g/cm3; (13)Flash Point: 130.9 °C; (14)Enthalpy of Vaporization: 51.1 kJ/mol; (15)Boiling Point: 292.8 °C at 760 mmHg; (16)Vapour Pressure: 0.00315 mmHg at 25 °C.
Preparation of Ethane,1-chloro-2-(methylsulfonyl)-: this chemical is prepared by 1-Chloro-2-methylsulfanyl-ethane. This reaction needs reagents 2,6-di-t-butylpyridine, TBAPF6 and solvent acetonitrile. The reaction time is 12 hours. The yield is 80 %. And the reaction equation is as followed:
Use of Ethane,1-chloro-2-(methylsulfonyl)-: it is used to produce other chemicals. For example, it is used to produce bis-(2-Methanesulfonyl-ethyl)-sulfide. The reaction occurs with reagent Na2S*9H2O. The yield is 78 %. And the reaction equation is as followed:
You can still convert the following datas into molecular structure:
(1) SMILES: ClCCS(=O)(=O)C
(2) InChI: InChI=1/C3H7ClO2S/c1-7(5,6)3-2-4/h2-3H2,1H3
(3) InChIKey: DKWNYTKOLIZNAX-UHFFFAOYAQ