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N-Tosyl-L-alanine chloromethyl ketone

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Name

N-Tosyl-L-alanine chloromethyl ketone

EINECS N/A
CAS No. 31982-00-0 Density 1.284g/cm3
PSA 71.62000 LogP 2.94140
Solubility N/A Melting Point N/A
Formula C11H14 Cl N O3 S Boiling Point 408.3°C at 760 mmHg
Molecular Weight 275.77 Flash Point 200.7°C
Transport Information N/A Appearance N/A
Safety A poison by an unspecified route. A flammable liquid. When heated to decomposition it emits toxic vapors of NOx, SOx, and Cl. Risk Codes N/A
Molecular Structure Molecular Structure of 31982-00-0 (N-[(2S)-4-chloro-3-oxobutan-2-yl]-4-methylbenzenesulfonamide) Hazard Symbols N/A
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

Article Data 1

N-Tosyl-L-alanine chloromethyl ketone Chemical Properties

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

N-Tosyl-L-alanine chloromethyl ketone Toxicity Data With Reference

1.    

unr-mus LD50:140 mg/kg

    JPMSAE    Journal of Pharmaceutical Sciences. 69 (1980),1451.

N-Tosyl-L-alanine chloromethyl ketone Safety Profile

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.

N-Tosyl-L-alanine chloromethyl ketone Standards and Recommendations

DOT Classification:  3; Label: Flammable Liquid

N-Tosyl-L-alanine chloromethyl ketone Specification

 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 .

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