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2-Chloro-6-(trifluoromethyl)benzonitrile, a chemical compound with the molecular formula C8H3ClF3N, is a white crystalline solid that is insoluble in water. It has a molecular weight of 191.57 g/mol and is characterized by a halogenated benzene derivative structure featuring a trifluoromethyl group and a nitrile functional group. This versatile building block is used in the synthesis of pharmaceuticals and agrochemicals, and can undergo various chemical reactions such as hydrolysis and nucleophilic substitution. Due to its potential toxicity and reactivity, it is crucial to handle and store this chemical with proper safety precautions.

129604-28-0

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129604-28-0 Usage

Uses

Used in Pharmaceutical Industry:
2-Chloro-6-(trifluoromethyl)benzonitrile is used as an intermediate in the synthesis of pharmaceuticals for its ability to be incorporated into the molecular structures of various drugs. Its unique combination of a trifluoromethyl group and a nitrile functional group allows for the development of new compounds with specific therapeutic properties.
Used in Agrochemical Industry:
In the agrochemical industry, 2-Chloro-6-(trifluoromethyl)benzonitrile serves as an intermediate in the synthesis of agrochemicals, contributing to the creation of pesticides and other agricultural chemicals. Its reactivity and structural features make it a valuable component in the development of effective and targeted agrochemical products.
Used in Chemical Research and Development:
2-Chloro-6-(trifluoromethyl)benzonitrile is also utilized in chemical research and development as a versatile building block for creating new compounds with potential applications in various fields. Its ability to undergo different chemical reactions makes it a valuable tool for exploring novel chemical pathways and syntheses.

Check Digit Verification of cas no

The CAS Registry Mumber 129604-28-0 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,2,9,6,0 and 4 respectively; the second part has 2 digits, 2 and 8 respectively.
Calculate Digit Verification of CAS Registry Number 129604-28:
(8*1)+(7*2)+(6*9)+(5*6)+(4*0)+(3*4)+(2*2)+(1*8)=130
130 % 10 = 0
So 129604-28-0 is a valid CAS Registry Number.

129604-28-0SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 19, 2017

Revision Date: Aug 19, 2017

1.Identification

1.1 GHS Product identifier

Product name 2-CHLORO-6-(TRIFLUOROMETHYL)BENZONITRILE

1.2 Other means of identification

Product number -
Other names 3-Chloro-2-cyanobenzotrifluoride

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:129604-28-0 SDS

129604-28-0Relevant articles and documents

Method for synthesizing fluopyram

-

, (2021/11/10)

The method comprises the following steps: 2, 3 -dichloro-trifluorotoluene is subjected to fluorination, cyano substitution, hydrolysis, hydroxymethylation, and esterification to obtain the intermediate 5. Another 2, 3 - dichloro -5 -trifluoromethylpyridine is reacted with malonic acid diester to give intermediate 6. After the intermediate 5 is condensed with the intermediate 6, hydrolysis, decarboxylation, and final hydrogenation dechlorination are performed to obtain fluopyram. The method has the characteristics of simple operation, cheap and accessible raw materials, no participation of isomers 1 isomers in subsequent reaction and easy removal. Non-flammable and explosive, highly toxic or non-volatile agents commonly used in the existing synthetic method are not used in each reaction step, and harm to operating personnel and in the environment is avoided. , The yield of the product reaches above 50%, and the purity is 98% or more.

Synthesis method 2 - trifluoromethyl benzamide

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, (2021/11/27)

The invention discloses a synthesis method of 2 -trifluoromethylbenzamide, which comprises the following steps of 2, 3 -dichloro-trifluorotoluene serving as a raw material and fluorinating. The preparation 2 -trifluoro -6 -cyano-trifluorotoluene is prepared by cyano substitution, 2 -fluoro -6 -cyanobenzotrifluoride is subjected to hydrogenation and dehydrochlorination, and 2 -trifluoromethylbenzamide is prepared by first hydrolyzing and dehydrochlorinating and dechlorinating. 2 - Trifluoromethylbenzamide is synthesized by simple reaction, and the method has the characteristics of cheap and easily available raw materials, no participation of the isomer 2 - fluorine -3 - chlorine - trifluorotoluene isomers in subsequent reaction and easy removal. In each reaction step, flammable and explosive, highly toxic or non-volatile agents commonly used in the existing synthetic method are not used, and harm to operating personnel and in the environment is avoided. , The total yield of the product reaches above 67%, and the purity is 97% or more.

Preparation method for 2-cyano-3-fluorobenzotrifluoride

-

Paragraph 0028; 0033-0037; 0042-0045, (2019/04/17)

The invention discloses a preparation method for 2-cyano-3-fluorobenzotrifluoride, in particular to the field of preparation of the 2-cyano-3-fluorobenzotrifluoride. The preparation method specifically comprises the following steps: firstly, reacting 2-fl

Aromatic trifluoromethyldenitration and trifluoromethyldecyanation using trifluoromethyltrimethylsilane

Adams, Dave J.,Clark, James H.,Hansen, Liv B.,Sanders, Victoria C.,Tavener, Stewart J.

, p. 3081 - 3085 (2007/10/03)

Activation of trifluoromethyltrimethylsilane by potassium fluoride in N,N-dimethylacetamide provides a powerful source of trifluoromethide which is capable of substituting aromatic nitro and cyano groups under nucleophilic conditions, albeit in low yield. The trifluoromethide generated in this system is also a potent base which leads to a number of interesting side reactions via deprotonation of the substrate.

Fluorine-containing acetophenones optionally halogenated on the CH3 -group and their precurser fluorine-containing benzonitriles

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, (2008/06/13)

Fluorine-containing acetophenones, optionally halogenated on the CH3 group, of the formula STR1 in which X represents hydrogen, chlorine or bromine and the radicals R1 to R5 have the following meaning, a) R1 and R4 denote fluorine, R2 and R5 denote chlorine and R3 denotes CF3, or b) R1, R3 and R4 denote fluorine and R2 and R5 denote hydrogen, or c) R1, R4 and R5 denote hydrogen, R2 denotes chlorine and R3 denotes CF3, or d) R1, R4 and R5 denote hydrogen, R2 denotes chlorine and R3 denotes OCF3, or e) R1, R4 and R5 denote hydrogen and R2 and R3 denote CF3, or f) R1 denotes chlorine, R2 denotes CF3 and R3, R4 and R5 denote hydrogen, or g) R1 denotes chlorine, R2, R3 and R4 denote hydrogen and R5 denotes CF3, or h) R1 denotes chlorine, R2, R4 and R5 denote hydrogen and R3 denotes CF3 and a process for their preparation from the corresponding fluorinated benzonitriles or benzyl halides by reaction with an organomagnesium compound capable of introducing methyl groups and subsequent hydrolysis, if appropriate followed by a chlorination or bromination.

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