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13419-46-0

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Basic Information
CAS No.: 13419-46-0
Name: S-(E-1,2-DICHLOROVINYL)-L-CYSTEINE
Molecular Structure:
Molecular Structure of 13419-46-0 (S-(E-1,2-DICHLOROVINYL)-L-CYSTEINE)
Formula: C5H7 Cl2 N O2 S
Molecular Weight: 216.088
Synonyms: Alanine,3-[(1,2-dichlorovinyl)thio]-, (E)-L- (8CI); L-Cysteine,S-(1,2-dichloroethenyl)-, (E)-; DCVC; S-(trans-1,2-Dichlorovinyl)-L-cysteine;S-[(E)-1,2-Dichlorovinyl]-L-cysteine
Density: 1.544g/cm3
Melting Point: 155-156 °C (decomp)
Boiling Point: 339.7°Cat760mmHg
Flash Point: 159.2°C
Safety: Mutation data reported. When heated to decomposition it emits toxic fumes of Cl−, NOx, and SOx.
PSA: 88.62000
LogP: 2.10830
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Chemistry

IUPAC Name: 2-Amino-3-[(E)-1,2-dichloroethenyl]sulfanylpropanoic acid
Synonyms of S-(trans-1,2-Dichlorovinyl)-L-cysteine (CAS NO.13419-46-0): (E)-S-(1,2-Dichloroethenyl)-L-cysteine ; Alanine, 3-((1,2-dichlorovinyl)thio)-, (E)-L- ; L-Cysteine, S-((1E)-1,2-dichloroethenyl)- ; L-Cysteine, S-(1,2-dichloroethenyl)-, (E)- (9CI)
InChI:  InChI=1/C5H7Cl2NO2S/c6-1-4(7)11-2-3(8)5(9)10/h1,3H,2,8H2,(H,9,10)/b4-1-
CAS NO: 13419-46-0
Molecular Formula: C5H7Cl2NO2S
Molecular Weight : 216.0856
Molecular Structure:
H bond acceptors: 3
H bond donors: 3
Freely Rotating Bonds: 5
Polar Surface Area: 54.84 Å2
Index of Refraction: 1.6
Molar Refractivity: 47.86 cm3
Molar Volume: 139.9 cm3
Surface Tension: 60.5 dyne/cm
Density: 1.544 g/cm3
Flash Point: 159.2 °C
Enthalpy of Vaporization: 64.09 kJ/mol
Boiling Point: 339.7 °C at 760 mmHg
Vapour Pressure: 1.66E-05 mmHg at 25°C

Toxicity Data With Reference

1.    

dnd-rbt-ivn 20 mg/kg

     TXCYAC    Toxicology. 35 (1985),25.
2.    

dnd-rbt-ipr 100 mg/kg

     TXCYAC    Toxicology. 35 (1985),25.
3.    

dnd-rbt:kdy 100 µmol/L

     TXCYAC    Toxicology. 35 (1985),25.

Safety Profile

Mutation data reported. When S-(trans-1,2-Dichlorovinyl)-L-cysteine (CAS NO.13419-46-0) is heated to decomposition, it emits toxic fumes of Cl−, NOx, and SOx.