Flubendiamide - ≥96% , CAS No.272451-65-7

CAS: 272451-65-7 Cat. No.: F1518284 Molecular Weight: 682.39 EC Number: 608-064-7

GRADE & PURITY ≥96%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Specifications & Purity

≥96%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥96%

Names and Identifiers

• Canonical 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
• 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)
• Isomeric 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 Germany: 1
• Molecular Weight: 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
    • Class Benzene and substituted derivatives
      • Subclass Anilides
        • Level5 Aromatic anilides
          • Level6 Benzanilides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: 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
• Description: 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

Chemical and Physical Properties

• Molecular Weight: 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

References

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]