95239-82-0

Basic information

• Product Name: Ethanol, 2-[(2-chloroethyl)thio]-, 3,5-dinitrobenzoate
• CAS NO: 95239-82-0
• Molecular Formula: C11H11ClN2O6S
• Molecular Weight: 334.737
• Mol File: 95239-82-0.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: Ethanol, 2-[(2-chloroethyl)thio]-, 3,5-dinitrobenzoate(CAS DataBase Reference)
• NIST Chemistry Reference: Ethanol, 2-[(2-chloroethyl)thio]-, 3,5-dinitrobenzoate(95239-82-0)
• EPA Substance Registry System: Ethanol, 2-[(2-chloroethyl)thio]-, 3,5-dinitrobenzoate(95239-82-0)

Safety Data

• Hazardous Substances Data: 95239-82-0(Hazardous Substances Data)

Upstream product

• 99-34-3 3,5-dinitrobenzoic acid 
• 95239-71-7 1-(p-Cyanophenyl)-3-triazene 

Relevant articles and documents

Triazenes as Transport Form of Sulfur Mustard: Synthesis of 3-aryltriazenes and Study of Their Reactions in Aqueous and Nonaqueous Solutions

A group of biologically active 1-aryl-3-triazenes has been synthesized.The rates of decomposition of a selected triazene, determined polarographically, increase with decrease in pH from 7.1 to 5.1.The products of aqueous decomposition have been analyzed by GC and GC-MS.A selectively deuterated triazene is found helpful in discriminating between alternative decomposition pathways.The data are consistend with initial protonation of the triazene and generation therefrom of a S-(2-chloroethyl)thioethyl cation (or its kinetic equivalent) which undergoes rearrangements as detected by deuterium scrambling.A second competing pathway may involve cyclization of the triazene to a 1-aryl-1,2,3-triazathiaoctene intermediate which then undergoes nucleophilic opening with attendant loss of nitrogen.These triazenes readily esterify 3,5-dinitrobenzoic acid and diethyl phosphate in etheral solutions.The use of deuterium labelled triazene indicates that these triazenes esterify predominantly via ion-pair mechanism and SN2 displacement is the minor pathway.A selected triazene is observed to alkylate the N3-position of triacetyluridine, also via a combination of ion-pair and SN2 displacement mechanisms as studied by the application of deuterium labelling.These studies are expected to assist in the interpretation of the cytotoxic effects of these triazenes.