72371-52-9

Basic information

• Product Name: 2-Chloro-6-mercapto benzonitrile
• Synonyms: 2-Chloro-6-mercapto benzonitrile
• CAS NO: 72371-52-9
• Molecular Formula: C₇H₄ClNS
• Molecular Weight: 169.63136
• Mol File: 72371-52-9.mol

Chemical Properties

• Boiling Point: 310.2 °C at 760 mmHg
• Flash Point: 141.4 °C
• Appearance: /
• Density: 1.35 g/cm³
• CAS DataBase Reference: 2-Chloro-6-mercapto benzonitrile(CAS DataBase Reference)
• NIST Chemistry Reference: 2-Chloro-6-mercapto benzonitrile(72371-52-9)
• EPA Substance Registry System: 2-Chloro-6-mercapto benzonitrile(72371-52-9)

Safety Data

• Hazardous Substances Data: 72371-52-9(Hazardous Substances Data)

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.

Upstream product

• 25380-61-4 4-chloro-1,2-benzisothiazole 
• 1194-65-6 2,6-dichloro-benzonitrile 
• 668-45-1 2-chloro-6-fluorobenzonitrile 
• 83-38-5 2,6-dichlorobenzaldehyde 

Downstream Products

• 65275-76-5 bis-(3-chloro-2-cyano-phenyl)-disulfide 

Relevant articles and documents

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

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

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

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

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

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.