- N-Tosyl-D,L-isoleucine chloromethyl ketone
- N-Tosyl-D,L-isoleucine diazomethyl ketone
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Cas Database |
| Name |
N-Tosyl-D,L-isoleucine chloromethyl ketone |
EINECS | N/A |
| CAS No. | 72676-78-9 | Density | 1.201g/cm3 |
| PSA | N/A | LogP | N/A |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C14H20ClNO3 | Boiling Point | 437.7°Cat760mmHg |
| Molecular Weight | 285.80 | Flash Point | 218.5°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 and Cl−. | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
N/A |
Article Data | 1 |
N-Tosyl-D,L-isoleucine chloromethyl ketone Chemical Properties
Empirical Formula of N-Tosyl-D,L-isoleucine chloromethyl ketone (CAS NO.72676-78-9): C14H20ClNO3S
Molecular Weight: 317.8315
Index of Refraction: 1.525
Density: 1.201 g/cm3
Flash Point: 218.5 °C
Enthalpy of Vaporization: 69.43 kJ/mol
Boiling Point: 437.7 °C at 760 mmHg
Vapour Pressure: 7.34E-08 mmHg at 25 °C
Structure of N-Tosyl-D,L-isoleucine chloromethyl ketone (CAS NO.72676-78-9):
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IUPAC Name: N-[(3R,4R)-1-Chloro-4-methyl-2-oxohexan-3-yl]-4-methylbenzenesulfonamide
Canonical SMILES: CCC(C)C(C(=O)CCl)NS(=O)(=O)C1=CC=C(C=C1)C
Isomeric SMILES: CC[C@@H](C)[C@H](C(=O)CCl)NS(=O)(=O)C1=CC=C(C=C1)C
InChI: InChI=1S/C14H20ClNO3S/c1-4-11(3)14(13(17)9-15)16-20(18,19)12-7-5-10(2)6-8-12/h5-8,11,14,16H,4,9H2,1-3H3/t11-,14-/m1/s1
InChIKey: CVSYUCJVNDYEQN-BXUZGUMPSA-N
N-Tosyl-D,L-isoleucine chloromethyl ketone Toxicity Data With Reference
| 1. | unr-mus LD50:400 mg/kg | JPMSAE Journal of Pharmaceutical Sciences. 69 (1980),1451. |
N-Tosyl-D,L-isoleucine chloromethyl ketone Safety Profile
A poison by an unspecified route. A flammable liquid. When heated to decomposition N-Tosyl-D,L-isoleucine chloromethyl ketone (CAS NO.72676-78-9) emits toxic vapors of NOx and Cl−.
N-Tosyl-D,L-isoleucine chloromethyl ketone Standards and Recommendations
DOT Classification: 3; Label: Flammable Liquid
N-Tosyl-D,L-isoleucine chloromethyl ketone Specification
N-Tosyl-D,L-isoleucine chloromethyl ketone , its cas register number is 72676-78-9. It also can be called p-Toluenesulfonamide, N-(3-chloro-1-sec-butylacetonyl)-, (R*,R*)-(+-)- ; (+-)-(R*,R*)-N-(3-Chloro-1-sec-butylacetyl)-p-toluenesulfonamide ; and Benzenesulfonamide, N-(1-(chloroacetyl)-2-methylbutyl)-4-methyl-, (R*,R*)-(+-)- .
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