5616-59-1

Basic information

• Product Name: 2-(trichloromethyl)-1,3-dithiolane
• Synonyms: 2-(trichloromethyl)-1,3-dithiolane
• CAS NO: 5616-59-1
• Molecular Formula: C4H5Cl3S2
• Molecular Weight: 223.57
• Mol File: 5616-59-1.mol
• Article Data: 1

Chemical Properties

• Boiling Point: 287.3°Cat760mmHg
• Flash Point: 123.5°C
• Appearance: /
• Density: 1.613g/cm³
• Vapor Pressure: 0.00432mmHg at 25°C
• Refractive Index: 1.625
• CAS DataBase Reference: 2-(trichloromethyl)-1,3-dithiolane(CAS DataBase Reference)
• NIST Chemistry Reference: 2-(trichloromethyl)-1,3-dithiolane(5616-59-1)
• EPA Substance Registry System: 2-(trichloromethyl)-1,3-dithiolane(5616-59-1)

Safety Data

• Hazardous Substances Data: 5616-59-1(Hazardous Substances Data)

Usage

General Description

2-(trichloromethyl)-1,3-dithiolane is a chemical compound with the molecular formula C3H3Cl3S. It is a colorless liquid with a strong, unpleasant odor. 2-(trichloromethyl)-1,3-dithiolane is used in the synthesis of organic compounds and has applications in the pharmaceutical and chemical industries. The trichloromethyl group in the molecule makes it reactive and potentially toxic, so it should be handled with caution. It is important to follow proper safety protocols when working with 2-(trichloromethyl)-1,3-dithiolane to minimize the risk of exposure and ensure safe handling of the compound.

InChI:InChI=1/C4H5Cl3S2/c5-4(6,7)3-8-1-2-9-3/h3H,1-2H2

Upstream product

• 540-63-6 ethane-1,2-dithiol 
• 75-87-6 chloral 

Relevant articles and documents

A Variable Mechanism for the Nucleophilic Vinylic Substitutions in a Series of gem-Dihalogenated Alkenes by a Bidentate Sulfur Nucleophile: An Experimental and AM1 Theoretical Study

The nucleophilic substitutions of a series of gem-dihalogenated alkenes 3, 5, 7, 8, and 9 (RS)2C=CX2 (X = Cl, F) with 1,2-benzenedithiolate b have been studied.Depending on the structures of the R groups (alkyl, saturated and unsaturated cycloalkyls, aromatic ring), the course of the reactions and the structures of the yielded products are modified.In the frame of the addition-elimination-type mechanism for these nucleophilic substitutions, the energy contents of the anionic intermediates, resulting from the additions of the nucleophile b to the unsaturated centers,is calculated at the AM1 method level.For the compounds 5, 7, 8, and 9, the calculated energies nicely corroborate the experimental results.For 3, anionic intetrmediates are no longer found by calculation, and a synchronous single-step substitution is strongly suggested.