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CAS No.: | 31982-00-0 |
---|---|
Name: | N-[(2S)-4-chloro-3-oxobutan-2-yl]-4-methylbenzenesulfonamide |
Article Data: | 1 |
Molecular Structure: | |
Formula: | C11H14 Cl N O3 S |
Molecular Weight: | 275.77 |
Synonyms: | Benzenesulfonamide,N-(3-chloro-1-methyl-2-oxopropyl)-4-methyl-, (S)-; p-Toluenesulfonamide,N-(3-chloro-1-methylacetonyl)-, L- (8CI); L-3-Tosylamido-1-chloro-2-butanone |
Density: | 1.284g/cm3 |
Boiling Point: | 408.3°C at 760 mmHg |
Flash Point: | 200.7°C |
Safety: | A poison by an unspecified route. A flammable liquid. When heated to decomposition it emits toxic vapors of NOx, SOx, and Cl−. |
PSA: | 71.62000 |
LogP: | 2.94140 |
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Empirical Formula of N-Tosyl-L-alanine chloromethyl ketone (CAS NO.31982-00-0): C11H14ClNO3S
Molecular Weight: 275.7518
Index of Refraction: 1.539
Density: 1.284 g/cm3
Flash Point: 200.7 °C
Enthalpy of Vaporization: 66.03 kJ/mol
Boiling Point: 408.3 °C at 760 mmHg
Vapour Pressure: 7.06E-07 mmHg at 25 °C
Structure of N-Tosyl-L-alanine chloromethyl ketone (CAS NO.31982-00-0):
IUPAC Name: N-[(2S)-4-Chloro-3-oxobutan-2-yl]-4-methylbenzenesulfonamide
Canonical SMILES: CC1=CC=C(C=C1)S(=O)(=O)NC(C)C(=O)CCl
Isomeric SMILES: CC1=CC=C(C=C1)S(=O)(=O)N[C@@H](C)C(=O)CCl
InChI: InChI=1S/C11H14ClNO3S/c1-8-3-5-10(6-4-8)17(15,16)13-9(2)11(14)7-12/h3-6,9,13H,7H2,1-2H3/t9-/m0/s1
InChIKey: IPACIBZWFYEXRK-VIFPVBQESA-N
1. | unr-mus LD50:140 mg/kg | JPMSAE Journal of Pharmaceutical Sciences. 69 (1980),1451. |
A poison by an unspecified route. A flammable liquid. When heated to decomposition N-Tosyl-L-alanine chloromethyl ketone (CAS NO.31982-00-0) emits toxic vapors of NOx, SOx, and Cl−.
DOT Classification: 3; Label: Flammable Liquid
N-Tosyl-L-alanine chloromethyl ketone , its cas register number is 31982-00-0. It also can be called Benzenesulfonamide, N-(3-chloro-1-methyl-2-oxopropyl)-4-methyl-, (S)- ; p-Toluenesulfonamide, N-(3-chloro-1-methylacetonyl)-, L- ; and L-N-(3-Chloro-1-methylacetonyl)-p-toluenesulfonamide .