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2-(4-Chlorophenyl)-hexanenitrile, also known as 4-(2-Cyanoethyl)chlorobenzene, is a chemical compound characterized by the molecular formula C13H14ClN. It is a colorless to pale yellow liquid with a strong, unpleasant odor. 2-(4-CHLOROPHENYL)-HEXANENITRILE is recognized for its role as a chemical intermediate in the synthesis of pharmaceuticals and agrochemicals, as well as for its applications as a solvent and in the production of dyes and pigments. Despite its utility, it poses potential health hazards, necessitating careful handling to avoid skin, eye, and respiratory system irritation.

2124-74-5

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2124-74-5 Usage

Uses

Used in Pharmaceutical Industry:
2-(4-Chlorophenyl)-hexanenitrile is used as a chemical intermediate for the synthesis of various pharmaceuticals, contributing to the development of new drugs and medications. Its role in this industry is crucial for creating the building blocks of life-saving and health-improving compounds.
Used in Agrochemical Industry:
Similarly, in the agrochemical sector, 2-(4-Chlorophenyl)-hexanenitrile serves as a key intermediate in the production of crop protection agents and other agricultural chemicals, enhancing crop yields and ensuring food security.
Used as a Solvent:
2-(4-Chlorophenyl)-hexanenitrile is utilized as a solvent in various chemical processes due to its unique solvency properties, facilitating reactions and improving the efficiency of industrial operations.
Used in Dye and Pigment Manufacturing:
In the manufacturing of dyes and pigments, 2-(4-Chlorophenyl)-hexanenitrile is employed to produce a range of colorants used in different industries, including textiles, plastics, and printing inks, adding vibrancy and variety to products.

Check Digit Verification of cas no

The CAS Registry Mumber 2124-74-5 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 2,1,2 and 4 respectively; the second part has 2 digits, 7 and 4 respectively.
Calculate Digit Verification of CAS Registry Number 2124-74:
(6*2)+(5*1)+(4*2)+(3*4)+(2*7)+(1*4)=55
55 % 10 = 5
So 2124-74-5 is a valid CAS Registry Number.
InChI:InChI=1/C12H14ClN/c13-9-5-4-8-12(10-14)11-6-2-1-3-7-11/h1-3,6-7,12H,4-5,8-9H2

2124-74-5SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 14, 2017

Revision Date: Aug 14, 2017

1.Identification

1.1 GHS Product identifier

Product name 2-(4-chlorophenyl)hexanenitrile

1.2 Other means of identification

Product number -
Other names (p-chlorophenyl)hexanenitrile

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:2124-74-5 SDS

2124-74-5Relevant academic research and scientific papers

Sustainable Alkylation of Nitriles with Alcohols by Manganese Catalysis

Borghs, Jannik C.,Tran, Mai Anh,Sklyaruk, Jan,Rueping, Magnus,El-Sepelgy, Osama

, p. 7927 - 7935 (2019/06/24)

A general and chemoselective catalytic alkylation of nitriles using a homogeneous nonprecious manganese catalyst is presented. This alkylation reaction uses naturally abundant alcohols and readily available nitriles as coupling partners. The reaction tolerates a wide range of functional groups and heterocyclic moieties, efficiently providing useful cyanoalkylated products with water as the only side product. Importantly, methanol can be used as a C1 source and the chemoselective C-methylation of nitriles is achieved. The mechanistic investigations support the multiple role of the metal-ligand manganese catalyst, the dehydrogenative activation of the alcohol, α-C-H activation of the nitrile, and hydrogenation of the in-situ-formed unsaturated intermediate.

Preparation method of high activity myclobutanil

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Paragraph 0043; 0046; 0047, (2018/04/02)

The invention relates to a preparation method of high activity myclobutanil, and belongs to the technical field of pesticide synthesis. In order to solve the existing problem of low activity of nitrile bacteria due to the difficulty of splitting, the preparation method of high activity myclobutanil is provided. The method includes the steps that compound 2 (4-chlorphenyl) hexanenitrile in formula I is added into a dichloromethane solvent under the action of chiral quaternary ammonium salt phase transfer catalyst, inorganic alkali water solution is added under the condition that the temperature is controlled to be 20 DEG C to 30 DEG C, the temperature is raised to 60 DEG C to 80 DEG C, after reaction, S-1-chlorine-2-nitrile base-2-(4-N-chlorophenyl) hexane is obtained; the chiral quaternary ammonium salt phase transfer catalyst is selected from cinchonidine and/or quinine, and the compound in formula II reacts with the dimethyl sulfoxide solution of anhydrous triazole potassium, and the high activity product-type compound in formula III S-type myclobutanil is obtained. The high acitivity reactive S-myclobutanil element in the product is significantly increased, the hydrolysis of cyanide is avoided, and the effects of higher yield and purity are achieved.

Synthesis of α-Aryl nitriles through palladium-catalyzed decarboxylative coupling of cyanoacetate salts with aryl halides and triflates

Shang, Rui,Ji, Dong-Sheng,Chu, Ling,Fu, Yao,Liu, Lei

supporting information; experimental part, p. 4470 - 4474 (2011/06/24)

Worth its salt: The palladium-catalyzed decarboxylative coupling of the cyanoacetate salt as well as its mono- and disubstituted derivatives with aryl chlorides, bromides, and triflates is described (see scheme). This reaction is potentially useful for the preparation of a diverse array of α-aryl nitriles and has good functional group tolerance. S-Phos=2-(2,6- dimethoxybiphenyl)dicyclohexylphosphine), Xant-Phos=4,5-bis(diphenylphosphino)- 9,9-dimethylxanthene. Copyright

Oxidative conversion of α,α-disubstituted acetamides to corresponding one-carbon-shorter ketones using hypervalent iodine (λ5) reagents in combination with tetraethylammonium bromide

Bellale, Eknath V.,Bhalerao, Dinesh S.,Akamanchi, Krishnacharya G.

supporting information; experimental part, p. 9473 - 9475 (2009/04/06)

(Chemical Equation Presented) α,α-Disubstituted acetamides undergo oxidative dehomologation to give one-carbon-shorter ketones when reacted with a hypervalent iodine (λ5) reagent in combination with tetraethylammonium bromide (TEAB) in various solvents. In further studies, one such combination of a hypervalent iodine (λ5) reagent, o-iodoxybenzoic acid, and TEAB has been established as a new, mild, efficient, and general method for the transformation.

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