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CARBONOCHLORIDOTHIOIC ACID, 5-OCTYLESTER is a chemical compound that belongs to the class of organosulfur compounds, characterized by its ester functionalities and a carbon disulfide functional group. It features an ester formed from the 5-carbon atom in an octyl chain, which is an eight-carbon chain. The general properties, uses, and safety measures associated with this chemical are determined by its specific features and interactions with other chemicals or compounds.

13889-96-8

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13889-96-8 Usage

Uses

Used in Chemical Synthesis:
CARBONOCHLORIDOTHIOIC ACID, 5-OCTYLESTER is used as a chemical intermediate for the synthesis of various organic compounds. Its unique structure and reactivity make it a valuable component in the production of specialty chemicals and materials.
Used in Pharmaceutical Industry:
In the pharmaceutical industry, CARBONOCHLORIDOTHIOIC ACID, 5-OCTYLESTER is used as a building block for the development of new drug molecules. Its ester and organosulfur functionalities can be exploited to create novel therapeutic agents with potential applications in various medical fields.
Used in Agrochemical Industry:
CARBONOCHLORIDOTHIOIC ACID, 5-OCTYLESTER is used as a raw material in the production of agrochemicals, such as pesticides and herbicides. Its chemical properties allow it to be incorporated into formulations that can effectively control pests and weeds in agricultural settings.
Used in Material Science:
In material science, CARBONOCHLORIDOTHIOIC ACID, 5-OCTYLESTER is used as a component in the development of new materials with specific properties, such as improved thermal stability, chemical resistance, or mechanical strength. Its unique structure can contribute to the creation of advanced materials for various applications.

Check Digit Verification of cas no

The CAS Registry Mumber 13889-96-8 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 1,3,8,8 and 9 respectively; the second part has 2 digits, 9 and 6 respectively.
Calculate Digit Verification of CAS Registry Number 13889-96:
(7*1)+(6*3)+(5*8)+(4*8)+(3*9)+(2*9)+(1*6)=148
148 % 10 = 8
So 13889-96-8 is a valid CAS Registry Number.
InChI:InChI=1/C9H17ClOS/c1-2-3-4-5-6-7-8-12-9(10)11/h2-8H2,1H3

13889-96-8SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 20, 2017

Revision Date: Aug 20, 2017

1.Identification

1.1 GHS Product identifier

Product name CARBONOCHLORIDOTHIOIC ACID, 5-OCTYLESTER

1.2 Other means of identification

Product number -
Other names Einecs 237-658-5

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:13889-96-8 SDS

13889-96-8Relevant academic research and scientific papers

Improved synthesis of dialkylaminopyrrolines

Flosser, David A.,Olofson, Roy A.

, p. 2045 - 2052 (2003)

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.

Process for the production of alkyl thiochloroformates

-

, (2008/06/13)

The subject of the invention is a new process for the preparation of alkyl thiochloroformates. The process according to the invention consists in reacting phosgene with a mercaptan in the presence of a catalyst which is a hexaalkylguanidinium chloride or the corresponding hydrochloride of general formula: STR1 in which R1, R2, R3, R4, R5 and R6 represent alkyl radicals containing 1 to 4 carbon atoms and in which n may take either the value 0 or the value 1. The preferred catalysts are hexamethylguanidinium chloride and its hydrochloride. The process according to the invention enables very pure alkyl thiochloroformates to be obtained with milder operating conditions and simplified purification operations.

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

Gauvreau, Jean R.,Martin, Gerard J.,Malfroot, Thierry,Senet, Jean Pierre

, p. 1971 - 1974 (2007/10/02)

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.

1-(N-Octylthiocarbonyl)-2-(4-thiazolyl)benzimidazole

-

, (2008/06/13)

New benzimidazoles substituted at the 1-position with carbonyl substituents and at the 2-position with a 4-thiazolyl group are effective fungicides and anthelmintics. The compounds as well as processes for their preparation are described along with antifungal and anthelmintic compositions for their use. The 1-position substituent is a hydrocarbon group of from 5 to 12 carbon atoms connected to the carbonyl group through an oxygen or a sulfur atom. The compounds are generally prepared by contacting a 1-unsubstituted benzimidazole with a hydrocarbon radical substituted chloroformate or chlorothiol formate.

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