18480-52-9

Basic information

• Product Name: 3,4-Dichloroisothiazole-5-carbonitrile
• Synonyms: 3,4-Dichloroisothiazole-5-carbonitrile;3,4-Dichloro-5-cyanoisothiazole;3,4-Dichloroisothiazol-5-nitrile;5-Cyano-3,4-dichloroisothiazole;dichloro-1,2-thiazole-5-carbonitrile;3,4-Dichloroisothiazol-5-carbonitrile;5-Cyano-3,5-dichloroisothiazole;3,4-dichloro-5-Isothiazolecarbonitrile
• CAS NO: 18480-52-9
• Molecular Formula: C4Cl2N2S
• Molecular Weight: 179.0272
• Mol File: 18480-52-9.mol
• Article Data: 7

Chemical Properties

• Melting Point: 81-83°C
• Boiling Point: 154℃
• Flash Point: 47℃
• Appearance: /
• Density: 1.70
• Vapor Pressure: 3.19mmHg at 25°C
• Refractive Index: 1.618
• Storage Temp.: 2-8°C
• PKA: -3.52±0.10(Predicted)
• CAS DataBase Reference: 3,4-Dichloroisothiazole-5-carbonitrile(CAS DataBase Reference)
• NIST Chemistry Reference: 3,4-Dichloroisothiazole-5-carbonitrile(18480-52-9)
• EPA Substance Registry System: 3,4-Dichloroisothiazole-5-carbonitrile(18480-52-9)

Safety Data

• Hazard Codes: T
• Statements: 25
• Safety Statements: 45
• Hazardous Substances Data: 18480-52-9(Hazardous Substances Data)

Usage

General Description

3,4-Dichloroisothiazole-5-carbonitrile is a chemical compound with the molecular formula C4HCl2N3S. It is a synthetic intermediate used in the production of agricultural chemicals and pharmaceuticals, specifically as a precursor in the synthesis of fungicides and biocides. 3,4-Dichloroisothiazole-5-carbonitrile is known for its broad-spectrum antimicrobial properties and is often used in the production of industrial disinfectants and preservatives. It is classified as a hazardous chemical and should be handled and stored with caution due to its toxic and irritant properties. Additionally, it is important to use proper protective equipment and protocols when working with 3,4-Dichloroisothiazole-5-carbonitrile to avoid potential health risks.

InChI:InChI=1/C4Cl2N2S/c5-3-2(1-7)9-8-4(3)6

Upstream product

• 75-15-0 carbon disulfide 
• 773837-37-9 sodium cyanide 
• 68-12-2 N,N-dimethyl-formamide 
• 201298-89-7 2-chloro-2-(4-chloro-5H-1,2,3-dithiazol-5-ylidene)-acetonitrile 
• 71200-79-8 chlorofumarodinitrile 
• 6613-48-5 dichloromaleonitrile 
• 6910-76-5 monochloromaleonitrile 
• 764-42-1 1,2-Dicyanoethylene 
• 6613-49-6 dichloro fumaric acid dinitrile 
• 110-61-2 butanedinitrile 

Downstream Products

• 18480-53-0 3,4-dichloro-isothiazole-5-carboxylic acid 

Relevant articles and documents

Preparation method of 3,4- dichloro5-cyanisothiazole

The invention provides a preparation method of 3,4- dichloro5-cyanisothiazole. Low-toxicity iron and cyanogen compounds are used as initial raw materials to react with carbon dioxide and chlorine gasunder the catalysis effect of catalysts; the purity of an obtained product can reach 98 percent. The use of highly toxic sodium cyanide is avoided; the industrial production safety is improved; raw materials are conventional compounds; the price is low; the process is simple and is suitable for amplified production.

Method of manufacturing benzisothiazol compd.

[Problem to be Solved] To provide an industrially preferred process for producing an isothiazole compound, particularly 3,4-dichloro-5-cyanoisothiazole. For example, to provide a safer industrial production process by avoiding the simultaneous use of an aprotic polar solvent such as N,N-dimethylformamide and chlorine. In addition, to provide a production process which is economically preferred because an aprotic polar solvent, which is highly likely to become a part of waste, is not used. [Solution] A process for producing an isothiazole compound represented by a general formula (3), wherein R is a cyano group or the like; and X is a chlorine atom or the like, which comprises heating a nitrile compound represented by a general formula (1), wherein R is as defined above, and sulfur, and then carrying out a reaction between the nitrile compound represented by the general formula (1), the sulfur and a halogen represented by a general formula (2), wherein X is as defined above.

PROCESS FOR PRODUCING ISOTHIAZOLE DERIVATIVE

A process for producing 3,4-dichloro-5-cyanoisothiazole represented by a general formula (3): the process comprising: reacting a nitrile compound represented by a general formula (1): (wherein “n” denotes an integer of 0 to 2), with sulfur chloride represented by a general formula (2): [Chemical Formula 18] SmCl2 ??(2) (wherein “m” represents an integer of 1 to 2), or a mixture thereof in an aprotic polar solvent. There is provided a process for producing 3,4-dichloro-5-cyanoisothiazole, which is capable of suppressing by-production of a waste, without using a raw material having a having a strong toxicity; and is capable of providing a product having a higher purity in a high yield and efficiency in an industrial scale, in a simple manner.