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102516-65-4

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Basic Information
CAS No.: 102516-65-4
Name: N-(chloroacetyl)-N-[(4-methylphenyl)sulfonyl]phenylalanine
Molecular Structure:
Molecular Structure of 102516-65-4 (N-(chloroacetyl)-N-[(4-methylphenyl)sulfonyl]phenylalanine)
Formula: C18H18 Cl N O5 S
Molecular Weight: 395.88
Synonyms: Tosyl-L-phenylalanylchloromethyl ketone;N-(Chloroacetyl)-3-phenyl-N-(p-tolylsulfonyl)alanine;n-(chloroacetyl)-n-[(4-methylphenyl)sulfonyl]phenylalanine;ALANINE,N-(CHLOROACETYL)-3-PHENYL-N-(p-TOLYLSULFONYL);
Density: 1.389g/cm3
Boiling Point: 574.1°Cat760mmHg
Flash Point: 301°C
Safety: Poison by intravaginal route. Experimental reproductive effects. When heated to decomposition it emits toxic fumes of Cl−, SOx, and NOx.
PSA: 100.13000
LogP: 3.52780
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    L-Phenylalanine,N-(chloroacetyl)-N-[(4-methylphenyl)sulfonyl]- (9CI)

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  • L-Phenylalanine,N-(chloroacetyl)-N-[(4-methylphenyl)sulfonyl]- (9CI)

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    L-Phenylalanine,N-(chloroacetyl)-N-[(4-methylphenyl)sulfonyl]- (9CI)

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    factory?direct?sale Application:Fine chemical intermediates, used as the main raw material for the synthesis of various pesticides, medicines, surfactants, polymer monomers, and antifungal agents

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Chemistry

IUPAC  Name: 2-[(2-Chloroacetyl)-(4-methylphenyl)sulfonylamino]-3-phenylpropanoic acid 
Molecular Formula: C18H18ClNO5S
Molecular Weight: 395.88
Freely Rotating Bonds: 7
Polar Surface Area: 89.13 Å2
Index of Refraction: 1.607
Molar Refractivity: 98.51 cm3
Molar Volume: 284.9 cm3
Polarizability: 39.05 ×10-24 cm3
Surface Tension: 57.9 dyne/cm
Density: 1.389 g/cm3
Flash Point: 301 °C
Enthalpy of Vaporization: 90.49 kJ/mol
Boiling Point: 574.1 °C at 760 mmHg
Vapour Pressure: 5.09E-14 mmHg at 25°C 
The Cas Register Number of  Tosyl-l-phenylalanylchloromethyl ketone is 102516-65-4.The chemical synonyms of  Tosyl-l-phenylalanylchloromethyl ketone (CAS NO.102516-65-4) are 102516-65-4 [RN] ; Alanine, N-(chloroacetyl)-3-phenyl-N-(p-tolylsulfonyl)- and N-(Chloroacetyl)-3-phenyl-N-(p-tolylsulfonyl)alanine . The molecular structure of  Tosyl-l-phenylalanylchloromethyl ketone (CAS NO.102516-65-4) is.

Uses

  Tosyl-l-phenylalanylchloromethyl ketone (CAS NO.102516-65-4) is used in organic synthesis .

Toxicity Data With Reference

1.    

unr-mus LD50:83 mg/kg

     JPMSAE    Journal of Pharmaceutical Sciences. 67 (1978),1726.
2.    

ivg-mus LD50:75 mg/kg

     JPMSAE    Journal of Pharmaceutical Sciences. 68 (1979),696.

Safety Profile

Poison by intravaginal route. Experimental reproductive effects. When heated to decomposition it emits toxic fumes of Cl−, SOx, and NOx.

Standards and Recommendations

DOT Classification:  3; Label: Flammable Liquid