1813-33-8 Usage
Uses
Used in Organic Synthesis:
2-Chloro-4-(trifluoromethyl)benzonitrile is used as a key intermediate in the synthesis of various organic compounds. Its chemical properties, such as the presence of a reactive chlorine atom and a nitrile group, make it suitable for a wide range of reactions, including nucleophilic substitution, electrophilic substitution, and addition reactions. This versatility allows it to be employed in the production of pharmaceuticals, agrochemicals, and other specialty chemicals.
Used in Pharmaceutical Industry:
In the pharmaceutical industry, 2-Chloro-4-(trifluoromethyl)benzonitrile is utilized as a starting material for the development of novel drug candidates. Its unique structural features enable the creation of diverse chemical entities with potential therapeutic applications. The compound's reactivity and stability make it an attractive choice for medicinal chemists seeking to design and optimize new drugs with improved efficacy and selectivity.
Used in Agrochemical Industry:
2-Chloro-4-(trifluoromethyl)benzonitrile also finds application in the agrochemical industry, where it is employed in the synthesis of new pesticides and other crop protection agents. Its chemical properties allow for the development of compounds with enhanced biological activity and selectivity, contributing to the creation of more effective and environmentally friendly agrochemical products.
Check Digit Verification of cas no
The CAS Registry Mumber 1813-33-8 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 1,8,1 and 3 respectively; the second part has 2 digits, 3 and 3 respectively.
Calculate Digit Verification of CAS Registry Number 1813-33:
(6*1)+(5*8)+(4*1)+(3*3)+(2*3)+(1*3)=68
68 % 10 = 8
So 1813-33-8 is a valid CAS Registry Number.
InChI:InChI=1/C8H3ClF3N/c9-7-3-6(8(10,11)12)2-1-5(7)4-13/h1-3H
1813-33-8Relevant academic research and scientific papers
Synthesis method of p-trifluoromethyl benzonitrile compound
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Paragraph 0052; 0053, (2019/10/02)
The invention relates to a preparation method of a p-trifluoromethyl benzonitrile compound. The structural formula of the p-trifluoromethyl benzonitrile compound is shown as formula (I), wherein X isa group selected from nitro or halogen. The p-trifluoromethyl benzonitrile compound is prepared by reacting a compound shown as formula (II) with cuprous cyanide under the action of sodium bromide or/and potassium bromide. The method provided by the invention adopts a low-cost catalyst, has a reaction conversion rate and selectivity up to 95% or more, also makes inorganic salts and tar easy to separate in the subsequent treatment process, thereby simplifying the post-treatment process and reducing the discharge of three wastes, and the method is suitable for large-scale industrial production.
Method for synthetizing 2-(methylthio)-4-trifluoromethyl ethyl benzoate
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Paragraph 0035-0037, (2018/04/01)
The invention discloses a method for synthetizing 2-(methylthio)-4-trifluoromethyl ethyl benzoate. 4-fluorine-3-chlorobenzotrifluoride is adopted as a raw material, and through cyanation, methylthiolation and a hydrolytic esterification reaction, 2-(methylthio)-4-trifluoromethyl ethyl benzoate (an isoxaflutole midbody) is obtained. According to the synthetizing method, 4-fluorine-3-chlorobenzotrifluoride is adopted as the raw material, the price is low, the cost of the raw material is drastically lowered, the reaction path is simple, few byproducts are generated, the yield is high, the solventand the catalyst are both recyclable, less three-waste (waste gas, wastewater and solid waste) is discharged, the reaction condition is mild, and the synthetizing method is easily popularized to industrialized production.
