Basic information
- Name:
Methanesulfonamide,N-(2-chloroethyl)-
- CAS No.:
21896-59-3
- Molecular Structure:
- Formula:
- C3H8ClNO2S
- Molecular Weight:
- 157.61912
- EINECS:
- 244-641-6
- Density:
- 1.321 g/cm3
- Boiling Point:
- 245.8 °C at 760 mmHg
- Flash Point:
- 102.5 °C
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Specification
The Methanesulfonamide,N-(2-chloroethyl)- has CAS registry number 21896-59-3. Its EINECS registry number is 244-641-6. This chemical's molecular formula is C3H8ClNO2S and molecular weight is 157.61912. What's more, its IUPAC name is N-(2-Chloroethyl)methanesulfonamide.
Physical properties about the Methanesulfonamide,N-(2-chloroethyl)- are: (1)ACD/LogP: -0.35; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.35; (4)ACD/LogD (pH 7.4): -0.35; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 15.31; (8)ACD/KOC (pH 7.4): 15.27; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 45.76 Å2; (13)Index of Refraction: 1.469; (14)Molar Refractivity: 33.23 cm3; (15)Molar Volume: 119.2 cm3; (16)Surface Tension: 40.5 dyne/cm; (17)Density: 1.321 g/cm3; (18)Flash Point: 102.5 °C; (19)Enthalpy of Vaporization: 48.29 kJ/mol; (20)Boiling Point: 245.8 °C at 760 mmHg; (21)Vapour Pressure: 0.0281 mmHg at 25 °C.
Uses: it is used to produce other chemicals. For example, it is used to produce N-[2-(4-Aminomethyl-piperidin-1-yl)-ethyl]-methanesulfonamide. This reaction needs solvent Acetonitrile. The reaction temperature is 0 – 20 °C. The yield is about 49 %.
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You can still convert the following datas into molecular structure:
(1) SMILES: ClCCNS(=O)(=O)C
(2) InChI: InChI=1/C3H8ClNO2S/c1-8(6,7)5-3-2-4/h5H,2-3H2,1H3
(3) InChIKey: HLEGMLHPZDVLQL-UHFFFAOYAX