-
Name
N-[(2S)-4-chloro-3-oxobutan-2-yl]-4-methylbenzenesulfonamide
- EINECS
- CAS No. 31982-00-0
- Article Data1
- CAS DataBase
- Density 1.284g/cm3
- Solubility
- Melting Point
- 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
- Appearance
- 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
-
Molecular Structure
- Hazard Symbols
- 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
- PSA 71.62000
- LogP 2.94140
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):
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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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