13889-96-8

Basic information

• Product Name: CARBONOCHLORIDOTHIOIC ACID, 5-OCTYLESTER
• Synonyms: Carbonochloridothioicacid,S-octylester;CARBONOCHLORIDOTHIOIC ACID, 5-OCTYLESTER;S-octyl chlorothioformate;Octyl thiochloroformate;S-Octylthiochloroformate;Chloridothiocarbonic acid S-octyl ester;Einecs 237-658-5
• CAS NO: 13889-96-8
• Molecular Formula: C₉H₁₇ClOS
• Molecular Weight: 224.81
• EINECS: 237-658-5
• Mol File: 13889-96-8.mol
• Article Data: 4

Chemical Properties

• Boiling Point: 258°C at 760 mmHg
• Flash Point: 109.8°C
• Appearance: /
• Density: 1.045g/cm³
• Vapor Pressure: 0.0141mmHg at 25°C
• Refractive Index: 1.479
• CAS DataBase Reference: CARBONOCHLORIDOTHIOIC ACID, 5-OCTYLESTER(CAS DataBase Reference)
• NIST Chemistry Reference: CARBONOCHLORIDOTHIOIC ACID, 5-OCTYLESTER(13889-96-8)
• EPA Substance Registry System: CARBONOCHLORIDOTHIOIC ACID, 5-OCTYLESTER(13889-96-8)

Safety Data

• Hazardous Substances Data: 13889-96-8(Hazardous Substances Data)

Usage

General Description

Carbonochloridothioic Acid, 5-Octylester is a chemical compound primarily characterized by its ester functionalities. It belongs to the class of organosulfur compounds that contain a carbon disulfide functional group. This denotes that it has a sulfur atom linked to two carbon atoms through a single bond. The specific 5-Octylester signifies that the compound features an ester formed from the 5-carbon atom in an octyl, or eight carbon, chain. The general properties, uses, and safety measures associated with this chemical are determined by its specific features and other chemicals or compounds with which it is likely to interact. Details like boiling point, melting point, molecular weight etc. are not readily available due to the specificity of the compound.

InChI:InChI=1/C9H17ClOS/c1-2-3-4-5-6-7-8-12-9(10)11/h2-8H2,1H3

Upstream product

• 75-44-5 phosgene 
• 111-88-6 Octanethiol 
• 32315-10-9 bis(trichloromethyl) carbonate 

Downstream Products

• 53083-33-3 Thiocarbonic acid S-octyl ester O-[3-oxo-2-(2,4,6-trimethyl-phenyl)-3H-inden-1-yl] ester 
• 90162-94-0 5-Fluoro-2,4-dioxo-3-phenylsulfanylmethyl-3,4-dihydro-2H-pyrimidine-1-carbothioic acid S-octyl ester 
• 1122021-30-0 6-{[2-(3-chloro-pyridin-2-yl)-5-methoxy-2H-pyrazole-3-carbonyl]-amino}-7-isopropylcarbamoyl-5-methyl-indazole-2-carbothioic acid S-octyl ester 
• 75131-84-9 N'-[5-(2-Chloro-4-trifluoromethyl-phenoxy)-2-nitro-phenyl]-N'-methyl-hydrazinecarbothioic acid S-octyl ester 
• 75131-53-2 2-chloro-4-trifluoromethyl-3'-(n-octylthio)carbonylhydrazino-4'-nitrodiphenyl ether 

Relevant articles and documents

Improved synthesis of dialkylaminopyrrolines

The literature synthesis of 5-dialkylamino-3,4-dihydro-2H-pyrroles from 5-methoxy-3,4-dihydro-2H-pyrrole has been much improved. In initial assays, the pyrrolinium salts obtained on alkylation of the dibutylaminoamidine are excellent "naked halide" catalysts.

Nuclear Magnetic Resonance Studies of Iminium Salts. Part 11. Anionic Paticipation of Iminium Salts in Phosgenation Reactions

Iminium salts act as catalysts in the reaction of phosgene and phenols or thiols to yield chloroformates, which are important synthetic intermediates.This effect is explained in terms of the nucleophilicity of the chloride anion of the salts on the basis of an n.m.r. identification of various intermediates.The mechanism of nucleophilic assistance of iminium salts towards the substrate can be understood as an increase of the nucleophilicity of phenol or thiol by proton abstraction from the OH or SH group by the chloride anion.