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2,3,4-Trichlorobenzonitrile is an organic compound characterized by its trichlorinated benzene ring and a nitrile functional group. It is a synthetic chemical used primarily as an intermediate in the production of pharmaceuticals and other organic compounds.

2112-31-4

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2112-31-4 Usage

Uses

Used in Pharmaceutical Industry:
2,3,4-Trichlorobenzonitrile is used as a key intermediate in the synthesis of Anagrelide (A637300) related compounds. Anagrelide is a medication used to reduce the production of platelets in the body, particularly for the treatment of thrombocythemia, a condition characterized by an abnormally high number of platelets in the blood. 2,3,4-Trichlorobenzonitrile plays a crucial role in the development of drugs that help manage this medical condition and improve patient outcomes.

Check Digit Verification of cas no

The CAS Registry Mumber 2112-31-4 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 2,1,1 and 2 respectively; the second part has 2 digits, 3 and 1 respectively.
Calculate Digit Verification of CAS Registry Number 2112-31:
(6*2)+(5*1)+(4*1)+(3*2)+(2*3)+(1*1)=34
34 % 10 = 4
So 2112-31-4 is a valid CAS Registry Number.
InChI:InChI=1/C7H2Cl3N/c8-5-2-1-4(3-11)6(9)7(5)10/h1-2H

2112-31-4SDS

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 2,3,4-Trichlorobenzonitrile

1.2 Other means of identification

Product number -
Other names Benzonitrile,2,3,4-trichloro

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:2112-31-4 SDS

2112-31-4Relevant academic research and scientific papers

Synthesis method of 3-chloro-2,4-difluorobenzoic acid

-

Paragraph 0023; 0027, (2017/02/17)

The invention relates to a synthesis method of 3-chloro-2,4-difluorobenzoic acid. The method comprises: taking 1,2,3-trichlorobenzene and N-bromosuccinimide to react, taking CuCN and 1-bromo-2,3,4-trichlorobenzene to react, taking the 1-bromo-2,3,4-trichlorobenzene and KF to react and taking 3-chloro-2,4-difluorobenzonitrile and sulfuric acid to react, so as to form the 3-chloro-2,4-difluorobenzoic acid. According to the synthesis method, synthesis reaction conditions are that a reaction is carried out at normal pressure and reaction temperature fluctuates between 0 and 250 DEG C; the obtained finished product is a light yellow powdery solid and the content is more than or equal to 99.0 percent; the total mol yield of the 3-chloro-2,4-difluorobenzoic acid can reach 61.5 percent; whole reaction conditions are moderate and the method is convenient to operate and control; pressure of waste gas, waste water and waste residues is relatively low so that industrial production is facilitated.

Electroreduction of organic compounds, 36 [1]. Electroreduction of chlorinated methyl benzoates

Gassmann, Joerg,Voss, Juergen

experimental part, p. 1291 - 1299 (2009/06/19)

The preparative electroreduction of the three methyl monochlorobenzoates, the six methyl dichlorobenzoates, and methyl 2,3,4-trichlorobenzoate in different solvent-supporting electrolytes (SSE) was studied. The rate of the dechlorination, which is the main reaction, is dependent on the substitution pattern. Pronounced regioselectivity is therefore observed in case of the oligochloro derivatives. Hydrogenation of the benzene ring and reduction of the methoxycarbonyl group with formation of a hydroxymethyl group are observed as side-reactions. Quantum chemical calculations on the reaction mechanism were performed. The theoretical results are in accordance with the experimental observations.

Structure-activity relationship studies on a series of novel, substituted 1-benzyl-5-phenyltetrazole P2X7 antagonists

Nelson, Derek W.,Gregg, Robert J.,Kort, Michael E.,Perez-Medrano, Arturo,Voight, Eric A.,Wang, Ying,Grayson, George,Namovic, Marian T.,Donnelly-Roberts, Diana L.,Niforatos, Wende,Honore, Prisca,Jarvis, Michael F.,Faltynek, Connie R.,Carroll, William A.

, p. 3659 - 3666 (2007/10/03)

1-Benzyl-5-aryltetrazoles were discovered to be novel antagonists for the P2X? receptor. Structure-activity relationship (SAR) studies were conducted around both the benzyl and phenyl moieties. In addition, the importance of the regiochemical substitution

Process for preparing aromatic nitriles

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, (2008/06/13)

Aromatic nitriles having the general formula (I): wherein: - Rrepresents the hydrogen atom., a fluorine, chlorine, bromine or iodine atom, a (C1-C5)-alkoxy group, a carboxy group, a (C1-C5)-carboxy-alkyl, or an aryl group selected from among phenyl, halo-phenyl, phenyl-ether or nitrile; - R' and R"either equal to, or different from, each other, represent the hydrogen atom or a fluorine, chlorine, bromine or iodine atom; are obtained by reacting an organic or inorganic ammonium salt (III):, , NH4(+) X(-) (III), , and an aromatic trichloromethyl derivative having formula (II): wherein R, R' and R" have the above set forth meaning, with the exception that when R in formula (I) represents the nitrile group, the corresponding R group in formula (II) represents the trichloromethyl group, operating in the presence of a catalyst consisting of a metal oxide or a metal salt. The process makes it possible high yields and high selectivities to the useful reaction product to be obtained.

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