Ethiprole - analytical standard , CAS No.181587-01-9

CAS: 181587-01-9 Cat. No.: E132523 Formula: C₁₃H₉Cl₂F₃N₄OS Peso molecolare: 397.2 Numero EC: 446-630-3

GRADE & PURITY Analytical standard

Synonyms

rpa 107382 | DTXSID6058003 | 5-Amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(ethylsulfinyl)-1H-pyrazole-3-carbonitrile | BCP13106 | Acetic acid, 2,2'-(N-(2,6-diethylphenylcarbamoylmethyl)imino)di- | UNII-5527E53JNB | ETHIPROLE [MI] | Asparagine Mono

Storage

Room temperature

Shipped In

Normal

Specifications

Sinonimi

rpa 107382 | DTXSID6058003 | 5-Amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(ethylsulfinyl)-1H-pyrazole-3-carbonitrile | BCP13106 | Acetic acid, 2,2'-(N-(2,6-diethylphenylcarbamoylmethyl)imino)di- | UNII-5527E53JNB | ETHIPROLE [MI] | Asparagine Mono

Specifiche e purezza

analytical standard

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Grado

Standard analitico

Nomi e identificatori

• Pubchem Sid: 528769406
• Sorrisi canonici: CCS(=O)C1=C(N(N=C1C#N)C2=C(C=C(C=C2Cl)C(F)(F)F)Cl)N
• IUPAC Name: 5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-ethylsulfinylpyrazole-3-carbonitrile
• InChIKey: FNELVJVBIYMIMC-UHFFFAOYSA-N
• INCHI: 1S/C13H9Cl2F3N4OS/c1-2-24(23)11-9(5-19)21-22(12(11)20)10-7(14)3-6(4-8(10)15)13(16,17)18/h3-4H,2,20H2,1H3
• Isomeri SMILES: CCS(=O)C1=C(N(N=C1C#N)C2=C(C=C(C=C2Cl)C(F)(F)F)Cl)N
• WGK Germania: 3
• Peso molecolare: 397.2
• Reaxy-Rn: 9583843
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9583843&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Azoles
      • Subclass Pyrazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Azoles
• Subclass: Pyrazoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpyrazoles
• Alternative Parents: Trifluoromethylbenzenes Dichlorobenzenes Aryl chlorides Heteroaromatic compounds Sulfoxides Sulfinyl compounds Nitriles Azacyclic compounds Primary amines Organopnictogen compounds Organofluorides Organochlorides Organic oxides Hydrocarbon derivatives Alkyl fluorides
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenylpyrazole - Trifluoromethylbenzene - 1,3-dichlorobenzene - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Sulfoxide - Azacycle - Carbonitrile - Nitrile - Sulfinyl compound - Organofluoride - Organochloride - Organohalogen compound - Amine - Alkyl halide - Alkyl fluoride - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Organosulfur compound - Primary amine - Aromatic heteromonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as phenylpyrazoles. These are compounds containing a phenylpyrazole skeleton, which consists of a pyrazole bound to a phenyl group.
• External Descriptors: Pyrazole insecticides

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Obiettivi associati (non umani)

Plutella xylostella (1838 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Aphis craccivora (935 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Culex pipiens pallens (759 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mythimna separata (3306 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Meccanismi d'azione

Proprietà chimiche e fisiche

• Peso molecolare: 397.200 g/mol
• XLogP3: 3.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 3
• Exact Mass: 395.983 Da
• Monoisotopic Mass: 395.983 Da
• Topological Polar Surface Area: 104.000 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 531.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Riferimenti

1. Lihua Qu, Xiaoyu Qi, Li Zhao, Yu Zhang, Ronghua Zhuge, Zhihui Hao, Congmin Liu.  (2023)  Development, validation, and use of a monitoring method for fipronil and its metabolites in chicken eggs by QuEChERS with online-SPE-LC-Q/Orbitrap analysis.  RAPID COMMUNICATIONS IN MASS SPECTROMETRY,  37  (13): (e9518).  [PMID:37038653] [10.1002/rcm.9518]

2. Guangyan Liu, Jun Ling, Hanzhao Xie, Jianping Li.  (2021)  Ultrasensitive molecularly imprinted electrochemiluminescence sensor based on enzyme-encapsulated liposome-linked signal amplification for trace analysis.  SENSORS AND ACTUATORS B-CHEMICAL,      [PMID:] [10.1016/j.snb.2021.131263]

3. Zheyuan Song, Zheng Ma, Xueshan Feng, Rui Huang, Qiong An, Yunrui Pan, Jing Chang, Bin Wan, Huili Wang, Jianzhong Li.  (2024)  Comparative assessment of thyroid disrupting effects of ethiprole and its metabolites: In silico, in vitro, and in vivo study.  Journal of Environmental Sciences,      [PMID:] [10.1016/j.jes.2024.05.027]

4. Yehong Han, Ruiyang Ma, Juntao Wang, Hongyuan Yan, Yufei Shan, Zihan Liu, Zhi Wang.  (2025)  Highly efficient analysis of fipronil and ethiprole in milk using ternary deep eutectic solvent-functionalized UiO-66-based tip-SPE − HPLC.  FOOD CHEMISTRY,      [PMID:41045852] [10.1016/j.foodchem.2025.146583]

5. Lin Kai, Wu Hongxin, Li Zhongsheng, Zhong Zichun, He Liuyan, Guo Yujing, Zhang Jie, Xu Xiaoxia, Zhang Wenqing, Jin Fengliang, Pang Rui.  (2025)  Phylogenetic and toxicogenomic profiling of CYPomes to elucidate convergent and divergent insecticide resistance profiles in three rice planthopper species.  JOURNAL OF PEST SCIENCE,      [PMID:] [10.1007/s10340-025-01913-2]