6099-88-3

Basic information

• Product Name: 2-CHLOROETHYL ISOTHIOCYANATE
• Synonyms: 2-CHLOROETHYL ISOTHIOCYANATE;1-Chloro-2-isothiocyanatoethane;Isothiocyanic Acid 2-Chloroethyl Ester;2-Chloroethyl isothiocyanate,98%;2-Chloroethyl isothiocyanate, 98% 5GR;Ethane, 1-chloro-2-isothiocyanato-;2-CHLOROETYL ISOTHIOCYANATE;2-chloroethyleisothiocyanate
• CAS NO: 6099-88-3
• Molecular Formula: C₃H₄ClNS
• Molecular Weight: 121.59
• Product Categories: Organic Building Blocks;Sulfur Compounds;Thiocyanates/Isothiocyanates
• Mol File: 6099-88-3.mol

Chemical Properties

• Melting Point: 172 °C
• Boiling Point: 80 °C13 mm Hg(lit.)
• Flash Point: 110 °F
• Appearance: Clear yellow/Liquid
• Density: 1.265 g/mL at 25 °C(lit.)
• Vapor Pressure: 0.679mmHg at 25°C
• Refractive Index: n20/D 1.556(lit.)
• Storage Temp.: Flammables area
• Sensitive: Moisture Sensitive
• BRN: 605585
• CAS DataBase Reference: 2-CHLOROETHYL ISOTHIOCYANATE(CAS DataBase Reference)
• NIST Chemistry Reference: 2-CHLOROETHYL ISOTHIOCYANATE(6099-88-3)
• EPA Substance Registry System: 2-CHLOROETHYL ISOTHIOCYANATE(6099-88-3)

Safety Data

• Hazard Codes: Xn
• Statements: 10-20/21/22-36/37/38-42
• Safety Statements: 26-36
• RIDADR: UN 3080 6.1/PG 2
• WGK Germany: 3
• HazardClass: 8
• PackingGroup: III
• Hazardous Substances Data: 6099-88-3(Hazardous Substances Data)

Usage

Chemical Properties

clear yellow liquid

InChI:InChI=1/C3H4ClNS/c4-1-2-5-3-6/h1-2H2

Upstream product

• 13163-21-8 aziridine-1-thiocarbonyl chloride 
• 463-71-8 thiophosgene 
• 870-24-6 2-chloroethanamine hydrochloride 
• 151-56-4 ethyleneimine 
• 75-15-0 carbon disulfide 
• 53422-48-3 2-chloroethyl azide 
• 689-98-5 chloroethylamine 

Downstream Products

• 23546-84-1 N-(2-chloro-ethyl)-carbonimidic acid dichloride 
• 36916-67-3 (2-chloro-ethyl)-(3-phenyl-thiazolidin-2-ylidene)-amine 
• 72647-27-9 3-(4-chloro-phenyl)-5,6-dihydro-thiazolo[2,3-c][1,2,4]triazole 
• 55545-16-9 2-(2,6-dimethyl-phenylsulfanyl)-4,5-dihydro-thiazole 
• 55545-15-8 2-(2-chloro-phenylsulfanyl)-4,5-dihydro-thiazole 
• 72647-29-1 5,6-Dihydro-3-p-tolylthiazolo<2,3-c>-s-triazole 
• 1779-81-3 4,5-Dihydro-thiazol-2-ylamin 
• 68788-50-1 1,3-Selenazolidin-2-thion 
• 52538-20-2 3-(β-D-ribofuranosyl)-6,7-dihydrothiazolo<3,2-a>purin-9-one 
• 128398-33-4 2-(2-methoxyphenyl)iminothiazolidine hydrochloride 
• 87191-83-1 3-cyclohexyl-1-(2-chloroethyl)thiourea 
• 102942-89-2 N-(4-Methylphenyl)-4,5-dihydro-2-thiazolamine 
• 112934-43-7 2-(4-Methylphenylimino)-3-(4,5-dihydrothiazol-2-yl)thiazolidine 
• 128398-32-3 2-(4-tolyl)iminothiazolidine hydrochloride 

Relevant articles and documents

Triton-B catalyzed one pot multicomponent synthesis of isothiocyanates in non-aqueous medium

A facile and novel method to synthesize isothiocyanides from cyclic and acyclic amines and carbon disulphide in DMSO with Triton-B as catalyst in non-aqueous medium is being reported. The method is less tedious and offers excellent yields. The structures have been elucidated by 1H NMR, 13C NMR and mass spectroscopy.

Efficient synthesis of isothiocyanates based on the tandem Staudinger/aza-Wittig reactions and mechanistic consideration of the tandem reactions

The tandem and stepwise Staudinger/aza-Wittig reactions of several azides were examined in detail. The tandem reaction method (Method I) exhibited superior results in the yield of the corresponding isothiocyanates bearing an electron-withdrawing group than the conventional stepwise method (Method II) which involves the sequential treatment of the azides with triphenylphosphine and then carbondisulfide. The mechanistic consideration for both reaction methods was proposed on the basis of the 1H-NMR analyses.