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2-(4-Chlorophenyl)-5-(trifluoromethyl)-1H-pyrrole-3-carbonitrile is a pyrrole derivative with the molecular formula C13H6ClF3N2. It features a 4-chlorophenyl group, a trifluoromethyl group, and a carbonitrile group, which contribute to its unique chemical properties and potential applications.

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  • 122454-23-3 Structure
  • Basic information

    1. Product Name: 2-(4-Chlorophenyl)-5-(trifluoromethyl)-1H-pyrrole-3-carbonitrile
    2. Synonyms: 2-(4-Chlorophenyl)-5-(trifluoromethyl)-1H-pyrrole-3-carbonitrile
    3. CAS NO:122454-23-3
    4. Molecular Formula: C12H6ClF3N2
    5. Molecular Weight: 270.64
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 122454-23-3.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 414.233 °C at 760 mmHg
    3. Flash Point: 204.321 °C
    4. Appearance: /
    5. Density: 1.481 g/cm3
    6. Refractive Index: N/A
    7. Storage Temp.: N/A
    8. Solubility: N/A
    9. CAS DataBase Reference: 2-(4-Chlorophenyl)-5-(trifluoromethyl)-1H-pyrrole-3-carbonitrile(CAS DataBase Reference)
    10. NIST Chemistry Reference: 2-(4-Chlorophenyl)-5-(trifluoromethyl)-1H-pyrrole-3-carbonitrile(122454-23-3)
    11. EPA Substance Registry System: 2-(4-Chlorophenyl)-5-(trifluoromethyl)-1H-pyrrole-3-carbonitrile(122454-23-3)
  • Safety Data

    1. Hazard Codes: N/A
    2. Statements: N/A
    3. Safety Statements: N/A
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 122454-23-3(Hazardous Substances Data)

122454-23-3 Usage

Uses

Used in Pharmaceutical Industry:
2-(4-Chlorophenyl)-5-(trifluoromethyl)-1H-pyrrole-3-carbonitrile is used as a building block for the synthesis of new drugs due to its biological activity. Its aromatic and fluorinated groups make it a valuable compound in drug discovery and development.
Used in Organic Chemistry:
In the field of organic chemistry, 2-(4-Chlorophenyl)-5-(trifluoromethyl)-1H-pyrrole-3-carbonitrile is used for the development of new materials and compounds. Its unique structure and functional groups offer potential for creating novel organic molecules with specific properties.
Caution:
It is important to handle 2-(4-Chlorophenyl)-5-(trifluoromethyl)-1H-pyrrole-3-carbonitrile with care, as its specific properties and potential hazards are not fully documented. Proper safety measures should be taken during its synthesis, storage, and use to minimize any risks associated with this compound.

Check Digit Verification of cas no

The CAS Registry Mumber 122454-23-3 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,2,2,4,5 and 4 respectively; the second part has 2 digits, 2 and 3 respectively.
Calculate Digit Verification of CAS Registry Number 122454-23:
(8*1)+(7*2)+(6*2)+(5*4)+(4*5)+(3*4)+(2*2)+(1*3)=93
93 % 10 = 3
So 122454-23-3 is a valid CAS Registry Number.

122454-23-3SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 20, 2017

Revision Date: Aug 20, 2017

1.Identification

1.1 GHS Product identifier

Product name 2-(4-Chlorophenyl)-5-(trifluoromethyl)-1H-pyrrole-3-carbonitrile

1.2 Other means of identification

Product number -
Other names 2-(p-chlorophenyl)-5-(trifluoromethyl)-pyrrole-3-carbonitrile

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:122454-23-3 SDS

122454-23-3Relevant articles and documents

Preparation method of trobiglide

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Paragraph 0024-0025, (2022/01/12)

The present invention discloses a method of preparation of trilobiril, specifically related to the field of agricultural technology, the preparation method provided by the present invention comprises the following steps: step 1, p-chlorobenzonitrile disso

Evaluation of the molluscicidal activities of arylpyrrole on Oncomelania hupensis, the intermediate host of Schistosoma japonicum

Dai, Jianrong,Feng, Bainian,Qu, Guoli,Xing, Yuntian,Yao, Jiakai

, (2021/10/01)

The snail Oncomelania hupensis is the only intermediate host of the highly invasive parasite Schistosoma japonicum. Molluscicide is often used to curb transmission of S. japonicum. Niclosamide, the only World Health Organization (WHO) recognized molluscicide, presents major drawbacks, including high cost and toxicity towards aquatic animals. In the present study, a number of aryl pyrrole derivatives (ADs) were synthesized to serve as potential molluscicides and were tested on O. hupensis. To uncover the underlying mechanisms, adenosine triphosphate (ATP) and adenosine diphosphate (ADP) levels were assessed in the soft body of ADs-exposed O. hupensis, using high performance liquid chromatography (HPLC). The effect of C6 on key points of energy metabolism (the activities of complexes I, III, IV and the membrane potential) was determined. We demonstrated that the Compound 6 (C6, 4-bromo-1-(bromomethyl)-2-(4-chlorophenyl)-5- (trifluoromethyl)-1H-pyrrole-3-carbonitrile) exerted the strongest molluscicidal activity against adult O. hupensis at LC50 of 0.27, 0.19, and 0.13 mg/L for 24, 48, and 72 h respectively. Moreover, we found that the bromide on the pyrrole ring of C6 was essential for molluscicidal activity. Furthermore, the ATP content reduced from 194.46 to 139.75 mg/g after exposure to 1/2 LC50, and reduced to 93.06 mg/g after exposure to LC50. ADP, on the other hand, remained the same level before and after C6 exposure. We found that C6, at 1/2 LC50, reduced the membrane potential of O. hupensis, while no significant changes were observed in the activities of complexes I, III, and IV. C6 was identified with excellent activities on O. hupensis. The obtained structure-activity relationship and action mechanism study results should be useful for further compound design and development.

Method for producing chlorfenapyr intermediate pyrrole by replacing acetonitrile with solvent DMF

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Paragraph 0005; 0025-0058, (2021/04/07)

The invention provides a method for producing chlorfenapyr intermediate pyrrole by replacing acetonitrile with a solvent DMF. The solvent DMF is used for replacing acetonitrile. The method for producing the chlorfenapyr intermediate pyrrole by replacing a

Application of 2-aryl substituted pyrrole compound in medicine for killing oncomelania hupensis

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Paragraph 0085; 0087; 0090; 0091; 0157, (2019/01/08)

The invention relates to an application of 2-aryl substituted pyrrole compound in a medicine for killing oncomelania hupensis and belongs to the technical field of prevention and treatment of bilharziasis, and particularly provides the chemical structure of the 2-aryl substituted pyrrole compound and a preparation method of same. The 2-aryl substituted pyrrole compound, being an active component,is used for preparing the snail killing agent in the forms of suspending agents, emulsions and micro-emulsions for killing the oncomelania hupensis. Immersion killing use amount of the 2-aryl substituted pyrrole compound being the active component of the snail killing agent is 0.1-10.00 mg/l, and immersion killing time is 24-72 h. The use amount of spray application is 1-10 g/m and action timeis 3-7 days. Experiment proves that the 2-aryl substituted pyrrole compound has killing activity on the oncomelania hupensis and is lower than a snail killing agent, niclosamide, in the prior art in toxicity on aquatic organisms. The compound can be processed to prepare the snail killing agents and applied in the field of prevention and treatment of bilharziasis.

Application of 2-aryl substituted pyrrole compound in medicine for killing biomphalarid snails

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Paragraph 0093; 0095; 0098; 0099; 0164, (2019/01/08)

The invention relates to an application of 2-aryl substituted pyrrole compound in a medicine for killing biomphalarid snails and belongs to the technical field of prevention and treatment of bilharziasis, and particularly provides the chemical structure of the 2-aryl substituted pyrrole compound and a preparation method of same. The 2-aryl substituted pyrrole compound, being an active component, is used for preparing the snail killing agent in the forms of suspending agents, emulsions and micro-emulsions for killing the biomphalarid snail. Immersion killing use amount of the 2-aryl substitutedpyrrole compound being the active component of the snail killing agent is 0.5-10.00 mg/l, and immersion killing time is 24-72 h. Experiment proves that the 2-aryl substituted pyrrole compound has killing activity on the biomphalarid snails and is lower than a snail killing agent, niclosamide, in the prior art in toxicity on aquatic organisms. The compound can be processed to prepare the snail killing agents and applied in the field of prevention and treatment of bilharziasis.

PRODUCTION OF ARYLPYRROL COMPOUNDS IN THE PRESENCE OF DIPEA BASE

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Page/Page column 14, (2018/10/19)

The invention relates to a process for the production of compounds of formula (I), comprising Step A of reacting compounds of formula (II) with 2,3-dihalopropionitrile or 2-haloacrylonitrile in the presence of DIPEA. It also relates to a process for the production of compounds of formula (III), comprising Step B of reacting compounds of formula (I) with Br2 in the presence of DIPEA. It also relates to a process C for the production of compounds of formula (IV), comprising Step C of reacting compounds of formula (III) with di(C1-C4-alkoxy)methane and either POCl3, or a mixture comprising POCl3 and DMF, in the presence of DIPEA. It also relates to the use of DIPEA as a base in the production of compounds of formula (I), compounds of formula (III) or compounds of formula (IV).

Synthesis, insecticidal and acaricidal activities of novel 2-arylpyrroles

Liu, Aiping,Tang, Ming,Yu, Shuying,Liu, Xingping,Wang, Xiaoguang,Pei, Hui,Wu, Daoxin,Hu, Li,Ou, Xiaoming,Huang, Mingzhi

, p. 117 - 123 (2013/03/14)

To search for novel 2-arylpyrroles with unique biological activities, a series of novel 2-arylpyrrole derivatives were designed and synthesized, and their structures were characterized by 1H and 13C NMR spectroscopy, MS spectrometry, and elemental analysis. Their insecticidal activities against Lepidopteran pests (e.g. Mythimna separata) and acaricidal activities against mites (e.g. Tetranychus urticae) were evaluated. The results of bioassays indicate that some of these title compounds exhibited excellent insecticidal and acaricidal activities. For example, 4-bromo-1-((chloromethoxy) methyl)-2-(4-chloro phenyl)-5-(trifluoromethyl)pyrrole-3-carbonitrile (6a), 4-bromo-2-(4-chlorophenyl)-1-((2-fluoroethoxy)-methyl)-5-(trifluoromethyl) pyrrole-3-carbonitrile (6d) showed insecticidal activity against Mythimna separata and 4-bromo-2-(4-chlorophenyl)-1-((isopropoxymethoxy)methyl)-5- (trifluoro methyl)pyrrole-3-carbonitrile (7d) showed acaricidal activity against Tetranychus urticae. They were more effective than Chlorfenapyr, which has been the only commercialized member of a new class of chemicals of 2-arylpyrroles.

Process for the preparation of 2-aryl-5-(perfluoro-alkyl) pyrrole compounds from N-[1-chloro-1-(perfluoroalkyl) methyl] arylimidoyl chloride compounds

-

, (2008/06/13)

There is provided a process for the preparation of 2-aryl-5-(perfluoroalkyl)pyrrole compounds from N-[1-chloro-1-(perfluoroalkyl)methyl]arylimidoyl chloride compounds. The 2-aryl-5-(perfluoroalkyl)pyrrole compounds are useful for the control of insect and

Process for the preparation of 2-aryl-5-(perfluoroalkyl)pyrrole compounds from N-[1-chloro-1-(perfluoroalkyl)methyl]arylimidoyl chloride compounds

-

, (2008/06/13)

There is provided a process for the preparation of 2-aryl-5-(perfluoroalkyl)pyrrole compounds of formula I from N-[1-chloro-1-(perfluoroalkyl)methyl]arylimidoyl chloride compounds. The 2-aryl-5-(perfluoroalkyl)pyrrole compounds are useful for the control

Process for the manufacture of 2-aryl-5-perfluoroalkylpyrrole derivatives and intermediates useful therefor

-

, (2008/06/13)

There is provided a single step procedure to prepare 2-aryl-5-perfluoroalkylpyrrole derivatives directly from the perfluoroacetylated Strecker reaction product. Said pyrrole derivatives are insecticidal and also useful as precursors to other insecticidal arylpyrrole compounds. Further provided are amide nitrile intermediates, useful in the preparation of insecticidal arylpyrrole compounds.

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