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2-Chloro-6-mercapto benzonitrile, with the molecular formula C7H4ClNS, is a derivative of benzonitrile, a common building block in organic synthesis. This chemical compound is a white to off-white solid that exhibits a pungent odor. It is utilized in various industrial applications, including the manufacturing of pharmaceuticals, agrochemicals, dyes, and other organic compounds. However, it is classified as a hazardous substance, necessitating careful handling to prevent skin and eye irritation, respiratory issues, and potential harm if ingested or absorbed through the skin.

72371-52-9

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72371-52-9 Usage

Uses

Used in Pharmaceutical Industry:
2-Chloro-6-mercapto benzonitrile is used as an intermediate in the synthesis of various pharmaceutical compounds. Its unique chemical structure allows it to be a key component in the development of new drugs with specific therapeutic properties.
Used in Agrochemical Industry:
In the agrochemical sector, 2-Chloro-6-mercapto benzonitrile is employed as a precursor in the production of pesticides and other crop protection agents. Its chemical properties contribute to the effectiveness of these products in managing pests and diseases in agriculture.
Used in Dye Production:
2-Chloro-6-mercapto benzonitrile is utilized as a starting material in the synthesis of dyes for various applications, such as textiles, plastics, and printing inks. Its ability to form colored compounds makes it a valuable component in the dye manufacturing process.
Used in Organic Synthesis:
As a derivative of benzonitrile, 2-Chloro-6-mercapto benzonitrile is used as a versatile building block in organic synthesis. Its reactivity and functional groups enable the formation of a wide range of organic compounds for various applications in the chemical industry.

Check Digit Verification of cas no

The CAS Registry Mumber 72371-52-9 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 7,2,3,7 and 1 respectively; the second part has 2 digits, 5 and 2 respectively.
Calculate Digit Verification of CAS Registry Number 72371-52:
(7*7)+(6*2)+(5*3)+(4*7)+(3*1)+(2*5)+(1*2)=119
119 % 10 = 9
So 72371-52-9 is a valid CAS Registry Number.

72371-52-9SDS

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 2-chloro-6-sulfanylbenzonitrile

1.2 Other means of identification

Product number -
Other names Benzonitrile,2-chloro-6-mercapto

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:72371-52-9 SDS

72371-52-9Relevant academic research and scientific papers

Chemical synthesis, crystal structure, versatile evaluation of their biological activities and molecular simulations of novel pyrithiobac derivatives

Wu, Ren-Jun,Zhou, Kai-Xuan,Yang, Haijin,Song, Guo-Qing,Li, Yong-Hong,Fu, Jia-Xin,Zhang, Xiao,Yu, Shu-Jing,Wang, Li-Zhong,Xiong, Li-Xia,Niu, Cong-Wei,Song, Fu-Hang,Yang, Haitao,Wang, Jian-Guo

supporting information, p. 472 - 484 (2019/02/24)

Since pyrithiobac (PTB) is a successful commercial herbicide with very low toxicity against mammals, it is worth exploring its derivatives for an extensive study. Herein, a total of 35 novel compounds were chemically synthesized and single crystal of 6–6

HCV PROTEASE INHIBITORS

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Paragraph 0026; 0027, (2014/06/24)

The present invention discloses a compound of general formula (I); A is O, S, CH, NH or NR', when O links with Z3, Z1 is N or CRZ1, Z2 is CRZ2, when Z1 links with O, Z2 is CH, Z3 is C-Ar; Ra, Rb, Rc and Rd independently is H, OH, halogen or -Y1-Rm; A1 is NH or CH2; R1' is alkyl, aryl, cycloalkyl, heterocycloalkyl or heteroaryl; A2 is N, O or linking bond; R1 is hydrogen, or, R1 linking covalently with R3 forms C5-C9 saturated or unsaturated hydrocarbon chain substituted by O or N; R3 is alkyl, cycloalkyl, heterocycloalkyl, alkyl substituted by cycloalky etc; R4 is alkoxy-CO, alkyl-NHCO, (alkyl)2NCO, or formyl substituted by aryl, cycloalkyl, heterocycloalkyl.

HCV Protease Inhibitors

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Paragraph 0076-0079, (2014/06/24)

A compound of general formula (I); A is O, S, CH, NH or NR′, when O links with Z3, Z1 is N or CRZ1, Z2 is CRZ2, when Z1 links with O, Z2 is CH, Z3 is C—Ar; Ra, Rb, Rc and Rd independently is H, OH, halogen or —Y1—Rm; A1 is NH or CH2; R1′ is alkyl, aryl, cycloalkyl, heterocycloalkyl or heteroaryl; A2 is N, O or linking bond; R1 is hydrogen, or, R1 linking covalently with R3 forms C5-C9 saturated or unsaturated hydrocarbon chain substituted by O or N; R3 is alkyl, cycloalkyl, heterocycloalkyl, alkyl substituted by cycloalkyl etc; R4 is alkoxy-CO, alkyl-NHCO, (alkyl)2NCO, or formyl substituted by aryl, cycloalkyl, heterocycloalkyl.

About the reaction of aryl fluorides with sodium sulfide: Investigation into the selectivity of substitution of fluorobenzonitriles to yield mercaptobenzonitriles via SNAr displacement of fluorine

Taldone, Tony,Patel, Pallav D.,Patel, Hardik J.,Chiosis, Gabriela

supporting information; experimental part, p. 2548 - 2551 (2012/06/15)

In this report we describe a simple synthesis of mercaptobenzonitriles from the reaction of fluorobenzonitriles with Na2S in DMF at room temperature and following direct treatment with Zn/HCl. Significantly, 2- and 4-fluorobenzonitriles substituted with chlorine or bromine, but not iodine, undergo selective substitution of fluorine at room temperature to yield synthetically useful halo-substituted mercaptobenzonitriles.

New Synthesis with Elemental Sulfur. - Preparation of 1,2-Benzisothiazoles and Some Secondary Reactions

Markert, Juergen,Hagen, Helmut

, p. 768 - 778 (2007/10/02)

The preparation of new 1,2-benzisothiazoles 2,3,5 and of thienoisothiazole 4 is described.The thioethers 8 have been obtained from 2 and 3 by ring opening with alcoholate and reaction with halomethyl compounds.On cyclisation, the thioethers 8 give the thionaphthenes 11.The ring systems of thionaphthenopyrimidines 10 and 12 have been prepared from 11.

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