57596-70-0

Basic information

• Product Name: N-acetyl-S-(2-bromo-2-chloro-1,1-difluoroethyl)-L- cysteine
• Synonyms: N-acetyl-S-(2-bromo-2-chloro-1,1-difluoroethyl)-L- cysteine
• CAS NO: 57596-70-0
• Molecular Formula: C7H9 Br Cl F2 N O3 S
• Molecular Weight: 340.57
• Mol File: 57596-70-0.mol
• Article Data: 1

Chemical Properties

• Boiling Point: 477.1°Cat760mmHg
• Flash Point: 242.3°C
• Appearance: /
• Density: 1.747g/cm³
• Vapor Pressure: 2.04E-10mmHg at 25°C
• Refractive Index: 1.532
• CAS DataBase Reference: N-acetyl-S-(2-bromo-2-chloro-1,1-difluoroethyl)-L- cysteine(CAS DataBase Reference)
• NIST Chemistry Reference: N-acetyl-S-(2-bromo-2-chloro-1,1-difluoroethyl)-L- cysteine(57596-70-0)
• EPA Substance Registry System: N-acetyl-S-(2-bromo-2-chloro-1,1-difluoroethyl)-L- cysteine(57596-70-0)

Safety Data

• Hazardous Substances Data: 57596-70-0(Hazardous Substances Data)

Usage

InChI:InChI=1/C7H9BrClF2NO3S/c1-3(13)12-4(5(14)15)2-16-7(10,11)6(8)9/h4,6H,2H2,1H3,(H,12,13)(H,14,15)

Upstream product

• 616-91-1 N-acetylcystein 
• 758-24-7 1-Bromo-1-chloro-2,2-difluoroethylene 

Relevant articles and documents

Synthesis of Mercapturic Acids Related to the Metabolism of Halothane

Mercapturic acid derivatives corresponding to possible or actual metabolites of the anaesthetic halothane (2-bromo-2-chloro-1,1,1-trifluoroethane) were synthesized by the reaction of N-acetyl-L-cysteine with 2-bromo-2-chloro-1,1-difluoroethene, 2-chloro-1,1-difluoroethene, and 2-bromo-1,1-difluoroethene.Saturated conjugates of the type RSCF2CHXY were formed by nucleophilic addition of the thiolate anion when the reaction was carried out in aqueous methanol containing sodium hydroxide.Unsaturated conjugates of the type RSCF=CHX, corresponding to displacement of fluorine, were the major products from the latter two alkenes under anhydrous aprotic conditions using N,N-dimethylformamide and triethylamine.Structure assignments of the conjugates are based mainly on 1H and 13C n.m.r. data.