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4-Chlorothiobenzoic acid S-methyl ester, also known as methyl 4-chlorobenzenethiolsulfonate, is an organic compound with the chemical formula C8H7ClO2S. It is a colorless to pale yellow crystalline solid that is soluble in organic solvents. 4-Chlorothiobenzoic acid S-methyl ester is primarily used as an intermediate in the synthesis of various pharmaceuticals, agrochemicals, and other chemical products. It is derived from the reaction of 4-chlorothiobenzoic acid with methyl iodide, resulting in the formation of an ester. Due to its reactivity and potential applications, 4-chlorothiobenzoic acid S-methyl ester is an important building block in the chemical industry.

5925-67-7

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5925-67-7 Usage

Check Digit Verification of cas no

The CAS Registry Mumber 5925-67-7 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 5,9,2 and 5 respectively; the second part has 2 digits, 6 and 7 respectively.
Calculate Digit Verification of CAS Registry Number 5925-67:
(6*5)+(5*9)+(4*2)+(3*5)+(2*6)+(1*7)=117
117 % 10 = 7
So 5925-67-7 is a valid CAS Registry Number.
InChI:InChI=1/C12H10N2O4/c1-8-5-6-11(18-8)12(15)13-9-3-2-4-10(7-9)14(16)17/h2-7H,1H3,(H,13,15)

5925-67-7SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 14, 2017

Revision Date: Aug 14, 2017

1.Identification

1.1 GHS Product identifier

Product name 5-methyl-N-(3-nitrophenyl)furan-2-carboxamide

1.2 Other means of identification

Product number -
Other names S-methyl p-chlorobenzothioate

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:5925-67-7 SDS

5925-67-7Relevant academic research and scientific papers

Palladium Catalyzed Direct Carbonylative Thiomethylation of Aryldiazonium Salts and Amines with 4-(Methylthio)-2-Butanone as (Methylthio) Transfer Agent

Tian, Qingqiang,Xu, Shasha,Zhang, Chiying,Liu, Xinyi,Wu, Xiangwei,Li, Yahui

, p. 8797 - 8804 (2021/07/19)

Herein, an interesting palladium-catalyzed procedure for the direct carbonylative thiomethylation of aromatic amine derivatives with 4-methylthio-2-butanone is developed. Using 4-methylthio-2-butanone as (methylthio) transfer agent, a variety of corresponding thioesters are obtained with moderate to good yields under base-free condition. In addition, good functional group tolerance can be observed.

One-pot odourless synthesis of thioesters via in situ generation of thiobenzoic acids using benzoic anhydrides and thiourea

Abbasi, Mohammad,Khalifeh, Reza

supporting information, p. 1265 - 1273 (2015/08/18)

An efficient and odourless procedure for a one-pot synthesis of thioesters by the reaction of benzoic anhydrides, thiourea and various organic halides (primary, allylic, and benzylic) or structurally diverse, electron-deficient alkenes (ketones, esters, and nitriles) in the presence of Et3 N has been developed. In this method, thiobenzoic acids were in situ generated from the reaction of thiourea with benzoic anhydrides, which were subjected to conjugate addition with electron-deficient alkenes or a nucleophilic displacement reaction with alkyl halides.

REACTION OF para-SUBSTITUTED AROMATIC ACIDS WITH METHYL THIOCYANATE IN TRIFLUOROACETIC ACID

Polivin, Yu. N.,Karakhanov, R. A.,Vinokurov, V. A.,Silin, M. A.,Bratkov, A. A.

, p. 324 - 328 (2007/10/02)

We have investigated the reactions of aromatic carboxylic acids (p-XC6H4COOH, in which X = F, Cl, Br, I, NO2, CH3, H, OCH3) with methyl thiocyanate in trifluoroacetic acid.It was shown that the starting acids are converted to S-methyl benzothioates and the nitrile of the acid .In addition to starting acid, in the reaction mixtures products of the reaction of CF3COOH with methyl thiocyanate were identified. Keywords: methyl thiocyanate, trifluoroacetic acid, S-methyl benzothioates, methyl mercaptan.

Aromatic Substitution. 46. Methyl (Ethyl) Thio(Dithio)carboxylation of Aromatics with S-Methyl (S-Ethyl) Thiocarboxonium and Dithiocarboxonium Fluoroantimonates

Olah, George A.,Bruce, Mark R.,Clouet, Francoise L.

, p. 438 - 442 (2007/10/02)

S-Methyl(S-ethyl)thio(dithio)carboxinium ions were prepared by reacting methyl(ethyl) fluoride-antimony pentafluoride with carbonyl sulfide (carbon disulfide) and studied with 1H and 13C NMR spectroscopy.The ions were subsequently used in the novel carboxylation reaction of arenes to S-methyl (S-ethyl) thio(dithio)benzoates.The method was also found to be adaptable to the carboxylation of polystyrene to poly(styrenecarboxylic acid) without degradation of the polymer backbone.

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