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Tolfenpyrad - analytical standard, high purity , CAS No.129558-76-5
Basic Description
Synonyms
tolfenpyrad | 129558-76-5 | 4-chloro-3-ethyl-1-methyl-N-(4-(p-tolyloxy)benzyl)-1H-pyrazole-5-carboxamide | Tolfenpyrad [ISO] | OMI 88 | 1H-Pyrazole-5-carboxamide, 4-chloro-3-ethyl-1-methyl-N-[[4-(4-methylphenoxy)phenyl]methyl]- | OHA74571QT | CHEBI:38628 | 4-chloro-3-eth
Specifications & Purity
analytical standard
Shipped In
Normal
Grade
analytical standard
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Diphenylethers
Intermediate Tree Nodes
Not available
Direct Parent
Diphenylethers
Alternative Parents
Diarylethers 2-heteroaryl carboxamides Pyrazole-5-carboxamides Phenoxy compounds Phenol ethers Toluenes Aryl chlorides Vinylogous halides Heteroaromatic compounds Secondary carboxylic acid amides Azacyclic compounds Organic oxides Hydrocarbon derivatives Organopnictogen compounds Organochlorides Organonitrogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Diphenylether - Diaryl ether - 2-heteroaryl carboxamide - Phenoxy compound - Pyrazole-5-carboxamide - Phenol ether - Toluene - Aryl chloride - Aryl halide - Azole - Heteroaromatic compound - Pyrazole - Vinylogous halide - Carboxamide group - Secondary carboxylic acid amide - Azacycle - Ether - Carboxylic acid derivative - Organoheterocyclic compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as diphenylethers. These are aromatic compounds containing two benzene rings linked to each other through an ether 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.
Associated Targets(Human)
Associated Targets(non-human)
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
IUPAC Name
4-chloro-5-ethyl-2-methyl-N-[[4-(4-methylphenoxy)phenyl]methyl]pyrazole-3-carboxamide
INCHI
InChI=1S/C21H22ClN3O2/c1-4-18-19(22)20(25(3)24-18)21(26)23-13-15-7-11-17(12-8-15)27-16-9-5-14(2)6-10-16/h5-12H,4,13H2,1-3H3,(H,23,26)
InChIKey
WPALTCMYPARVNV-UHFFFAOYSA-N
Smiles
CCC1=NN(C(=C1Cl)C(=O)NCC2=CC=C(C=C2)OC3=CC=C(C=C3)C)C
Isomeric SMILES
CCC1=NN(C(=C1Cl)C(=O)NCC2=CC=C(C=C2)OC3=CC=C(C=C3)C)C
PubChem CID
10110536
Molecular Weight
383.9
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
383.900 g/mol
XLogP3
4.700
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
6
Exact Mass
383.14 Da
Monoisotopic Mass
383.14 Da
Topological Polar Surface Area
56.200 Ų
Heavy Atom Count
27
Formal Charge
0
Complexity
476.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
1
Citations of This Product
1.
Nannan Pang, Xiaochen Jiang, Tianle Xie, Liyuan Liu, Jiye Hu.
(2023)
Residue monitoring and dietary risk assessment of chlorantraniliprole and tolfenpyrad in Chinese kale under open‑field conditions. INTERNATIONAL JOURNAL OF ENVIRONMENTAL ANALYTICAL CHEMISTRY,
2.
Zhengtao Li, Haowei Dong, Haifang Wang, Donghan Li, Shuxian Zhou, Shengxi Zhai, Jingcheng Huang, Rui Xu, Wenping Zhao, Mohamed Bedair M. Ahmed, Gili Bisker, Xia Sun, Yemin Guo.
(2025)
Novel time-resolved fluorescent-based multiplex immunochromatography test strip for simultaneous detection of pesticides in vegetables. FOOD CHEMISTRY,
464
(141916).
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2 Citations
H1901138