Fluazuron - analytical standard , CAS No.86811-58-7

CAS: 86811-58-7 Cat. No.: F114559 Molecular Weight: 506.21 EC Number: 635-515-5

GRADE & PURITY Analytical standard

Synonyms

BCP12637 | Fluazuron | AKOS015895051 | N-[[4-chloro-3-[[3-chloro-5-(trifluoromethyl)-2-pyridyl]oxy]phenyl]carbamoyl]-2,6-difluoro-benzamide;Fluazuron | N-[(4-chloro-3-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy}phenyl)carbamoyl]-2,6-difluorobenzamide |

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

BCP12637 | Fluazuron | AKOS015895051 | N-[[4-chloro-3-[[3-chloro-5-(trifluoromethyl)-2-pyridyl]oxy]phenyl]carbamoyl]-2, 6-difluoro-benzamide;Fluazuron | N-[(4-chloro-3-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy}phenyl)carbamoyl]-2, 6-difluorobenzamide |

Specifications & Purity

analytical standard

Storage

Room temperature

Shipped In

Normal

Grade

Analytical standard

Names and Identifiers

• Canonical Smiles: C1=CC(=C(C(=C1)F)C(=O)NC(=O)NC2=CC(=C(C=C2)Cl)OC3=C(C=C(C=N3)C(F)(F)F)Cl)F
• IUPAC Name: N-[[4-chloro-3-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxyphenyl]carbamoyl]-2,6-difluorobenzamide
• InChIKey: YOWNVPAUWYHLQX-UHFFFAOYSA-N
• INCHI: 1S/C20H10Cl2F5N3O3/c21-11-5-4-10(29-19(32)30-17(31)16-13(23)2-1-3-14(16)24)7-15(11)33-18-12(22)6-9(8-28-18)20(25,26)27/h1-8H,(H2,29,30,31,32)
• Isomeric SMILES: C1=CC(=C(C(=C1)F)C(=O)NC(=O)NC2=CC(=C(C=C2)Cl)OC3=C(C=C(C=N3)C(F)(F)F)Cl)F
• WGK Germany: 2
• UN Number: 3077
• Packing Group: III
• Molecular Weight: 506.21
• Reaxy-Rn: 11322070
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=11322070&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass N-phenylureas
        • Level5 N-acyl-phenylureas
          • Level6 N-benzoyl-N'-phenylureas

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: N-phenylureas
• Intermediate Tree Nodes: N-acyl-phenylureas
• Direct Parent: N-benzoyl-N'-phenylureas
• Alternative Parents: Diarylethers 2-halobenzoic acids and derivatives Phenoxy compounds Phenol ethers Benzoyl derivatives Chlorobenzenes Fluorobenzenes Aryl chlorides Pyridines and derivatives Aryl fluorides Vinylogous halides Heteroaromatic compounds Ureas Carboxylic acids and derivatives Azacyclic compounds Organic oxides Organochlorides Organofluorides Carbonyl compounds Organonitrogen compounds Organopnictogen compounds Alkyl fluorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: N-benzoyl-n'-phenylurea - Diaryl ether - 2-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzoic acid or derivatives - Benzoyl - Phenoxy compound - Phenol ether - Chlorobenzene - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl chloride - Pyridine - Aryl halide - Heteroaromatic compound - Vinylogous halide - Carbonic acid derivative - Urea - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Ether - Organooxygen compound - Organic nitrogen compound - Alkyl halide - Alkyl fluoride - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organochloride - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as n-benzoyl-n'-phenylureas. These are n-acyl-phenylureas that have the acyl group substituted by a phenyl group.
• External Descriptors: monochlorobenzenes - organochlorine acaricide - organofluorine acaricide

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

Associated Targets(Human)

CETP Tchem Cholesteryl ester transfer protein (2422 Activities)

Discover Target: CETP

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

Associated Targets(non-human)

Plasmodium falciparum (966862 Activities)

Explore this target

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

Mechanisms of Action

Chemical and Physical Properties

• Flash Point(°F): >200 °C
• Flash Point(°C): >200°C
• Molecular Weight: 506.200 g/mol
• XLogP3: 6.100
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 4
• Exact Mass: 505.002 Da
• Monoisotopic Mass: 505.002 Da
• Topological Polar Surface Area: 80.300 Ų
• Heavy Atom Count: 33
• Formal Charge: 0
• Complexity: 694.000
• 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. Xian-Xian Ji, Yu-Long Liu, Xin-Yue Chang, Rui-Long Li, Fei Ye, Liu Yang, Ying Fu.  (2023)  An electrochemical sensor derived from Cu-BTB MOF for the efficient detection of diflubenzuron in food and environmental samples.  FOOD CHEMISTRY,      [PMID:37421661] [10.1016/j.foodchem.2023.136802]

2. Guiju Xu, Longfei Hou, Chuqing Liu, Xiaoli Wang, Lu Liu, Na Li, Jin-Ming Lin, Ru-Song Zhao.  (2021)  Fabrication of a Magnetic Fluorinated Covalent Organic Framework for the Selective Capture of Benzoylurea Insecticide Residue in Beverages.  ACS Applied Materials & Interfaces,      [PMID:34672528] [10.1021/acsami.1c15869]

3. Xuan Su, Jingjing Hui, Yusong Zhou, Wen-Bo Cheng, Xiwen He, Langxing Chen, Yukui Zhang.  (2024)  Room temperature in situ growth of fluorinated covalent organic framework on electrospun nanofibers for efficient detection of benzoylurea insecticide residue in water samples.  MICROCHEMICAL JOURNAL,      [PMID:] [10.1016/j.microc.2024.111965]

4. Zekun Liu, Lu Liu, Yan Dong, Yan Li, Chong Zhang, Xiao-Li Wang, Lingxi Zhao, Hai-Long Jiang, Yong-Ning Wu, Xiangfeng Chen, Feng Li, Ru-Song Zhao.  (2025)  Ionic liquids accelerate the crystallization of a magnetic fluorine-functionalized 3D covalent organic framework for efficient capture of trace benzoylurea insecticides in juices and beverages.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2025.169460]