Flubendiamide - analytical standard, used for Flubendiamide may be used as an analytical reference standard for the determination of the analyte in vegetables and fruits by high performance liquid chromatography coupled to ultraviolet detector (HPLC-UV) a

CAS: 272451-65-7 Cat. No.: F137150 Formula: C₂₃H₂₂F₇IN₂O₄S Peso molecolare: 682.39 Numero EC: 608-064-7

GRADE & PURITY Analytical standard

Synonyms

Tox21_303432 | N(2)-[1,1-dimethyl-2-(methylsulfonyl)ethyl]-3-iodo-N(1)-{2-methyl-4-[1,2,2,2-tetrafluoro-1-(trifluoromethyl)ethyl]phenyl}benzene-1,2-dicarboxamide | 1,2-Benzenedicarboxamide, N2-[1,1-dimethyl-2-(methylsulfonyl)ethyl]-3-iodo-N1-[2-methyl-4-[

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Panoramica

Flubendiamide is a novel insecticide that is grouped under the family of phthalic acid diamides. It is largely used against lepidopteron pests in various annual and perennial crops.

Specifications

Sinonimi

Tox21_303432 | N(2)-[1,1-dimethyl-2-(methylsulfonyl)ethyl]-3-iodo-N(1)-{2-methyl-4-[1,2,2,2-tetrafluoro-1-(trifluoromethyl)ethyl]phenyl}benzene-1,2-dicarboxamide | 1,2-Benzenedicarboxamide, N2-[1,1-dimethyl-2-(methylsulfonyl)ethyl]-3-iodo-N1-[2-methyl-4-[

Specifiche e purezza

analytical standard

Applicazione

Flubendiamide may be used as an analytical reference standard for the determination of the analyte in vegetables and fruits by high performance liquid chromatography coupled to ultraviolet detector (HPLC-UV) and HPLC combined with tandem mass spectrometry

Condizioni di conservazione di stoccaggio

Store at -20°C,Argon charged

Spedito in

Ice chest + Ice pads

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Grado

Standard analitico

Nomi e identificatori

• Pubchem Sid: 528772441
• Sorrisi canonici: CC1=C(C=CC(=C1)C(C(F)(F)F)(C(F)(F)F)F)NC(=O)C2=C(C(=CC=C2)I)C(=O)NC(C)(C)CS(=O)(=O)C
• IUPAC Name: 1-N-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methylphenyl]-3-iodo-2-N-(2-methyl-1-methylsulfonylpropan-2-yl)benzene-1,2-dicarboxamide
• InChIKey: ZGNITFSDLCMLGI-UHFFFAOYSA-N
• INCHI: 1S/C23H22F7IN2O4S/c1-12-10-13(21(24,22(25,26)27)23(28,29)30)8-9-16(12)32-18(34)14-6-5-7-15(31)17(14)19(35)33-20(2,3)11-38(4,36)37/h5-10H,11H2,1-4H3,(H,32,34)(H,33,35)
• Isomeri SMILES: CC1=C(C=CC(=C1)C(C(F)(F)F)(C(F)(F)F)F)NC(=O)C2=C(C(=CC=C2)I)C(=O)NC(C)(C)CS(=O)(=O)C
• WGK Germania: 1
• Peso molecolare: 682.39
• Reaxy-Rn: 11326832
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=11326832&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Anilides
        • Level5 Aromatic anilides
          • Level6 Benzanilides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Anilides
• Intermediate Tree Nodes: Aromatic anilides
• Direct Parent: Benzanilides
• Alternative Parents: 2-halobenzoic acids and derivatives 3-halobenzoic acids and derivatives Benzamides Benzoyl derivatives Toluenes Iodobenzenes Aryl iodides Vinylogous halides Sulfones Secondary carboxylic acid amides Organic oxides Hydrocarbon derivatives Organofluorides Organoiodides Organonitrogen compounds Alkyl fluorides Organooxygen compounds Organopnictogen compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzanilide - Halobenzoic acid or derivatives - 3-halobenzoic acid or derivatives - 2-halobenzoic acid or derivatives - Benzamide - Benzoic acid or derivatives - Benzoyl - Toluene - Halobenzene - Iodobenzene - Aryl halide - Aryl iodide - Vinylogous halide - Sulfonyl - Sulfone - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Organoiodide - Organofluoride - Organohalogen compound - Organosulfur compound - Alkyl halide - Alkyl fluoride - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Aromatic homomonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as benzanilides. These are aromatic compounds containing an anilide group in which the carboxamide group is substituted with a benzene ring. They have the general structure RNC(=O)R', where R,R'= benzene.
• External Descriptors: organofluorine insecticide

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

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Meccanismi d'azione

Proprietà chimiche e fisiche

• Sensibilità: air sensitive；heat sensitive
• Peso molecolare: 682.400 g/mol
• XLogP3: 5.300
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 7
• Exact Mass: 682.023 Da
• Monoisotopic Mass: 682.023 Da
• Topological Polar Surface Area: 101.000 Ų
• Heavy Atom Count: 38
• Formal Charge: 0
• Complexity: 968.000
• 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

Riferimenti

1. Fan Du, Chen-Xi Feng, Di-Fei Zhou, Xiaomin Hou.  (2023)  Evaluation of the Two Typical Diamide Insecticide-Induced Oxidative Damages and the Molecular Mechanism Underlying Their Toxicity in Triticum aestivum.  JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY,      [PMID:37195717] [10.1021/acs.jafc.3c01085]

2. Yumei Yan, Zhili Liu, Wenfeng Zhou, Haixiang Gao, Runhua Lu.  (2023)  Construction of multiple modes using gold nanoparticles as probes for the rapid detection of fenpyroximate.  Analytical Methods,  15  (13): (1713-1721).  [PMID:36938594] [10.1039/D3AY00139C]

3. Wenqiu Song, Weihua Liu, Qianqian Wang, Lin Hao, Qiuhua Wu, Chun Wang.  (2025)  A recyclable and durable azo-linked porous organic polymer for fast enrichment and sensitive detection of diamide insecticides in environmental and food samples.  FOOD CHEMISTRY,      [PMID:40252448] [10.1016/j.foodchem.2025.144371]

4. Yifan Chen, Fan Yang, Xiaomin Hou.  (2025)  Systematic evaluation of three-generation diamide insecticides with glutathione reductase 2: molecular mechanisms and phytotoxic effects.  SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY,      [PMID:41442911] [10.1016/j.saa.2025.127377]

5. Yang Bingnian, Peng Ziqin, Xia Guangping, Ruan Guihua, Huang Yipeng, Tang Ningli.  (2026)  Controllable synthesis of reticulated covalent organic polymers for the rapid extraction of triazine herbicides in vegetables prior to analysis by high-performance liquid chromatography.  MICROCHIMICA ACTA,  193  (3): (150).  [PMID:41663847] [10.1007/s00604-026-07841-x]