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

CAS: 86811-58-7 Cat. No.: F114559 분자식: C₂₀H₁₀Cl₂F₅N₃O₃ 분자량: 506.21 EC 번호: 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

동의어

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 |

사양 및 순도

analytical standard

보관 조건

Room temperature

배송

Normal

등급

분석 표준물질

이름과 식별자

• 정식 스마일: 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)
• 이성체 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 독일: 2
• UN 번호: 3077
• 포장 그룹: III
• 분자량: 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
    • 분류 Benzene and substituted derivatives
      • Subclass N-phenylureas
        • Level5 N-acyl-phenylureas
          • Level6 N-benzoyl-N'-phenylureas

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: 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
• 설명: 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

관련 대상(인간)

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

관련 대상(비인간)

Plasmodium falciparum (966862 Activities)

Explore this target

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

작용 메커니즘

화학 및 물리적 특성

• 발화점(°F): >200 °C
• 발화점(°C): >200°C
• 분자량: 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

참고 문헌

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]

자주 묻는 질문

What does analytical standard mean?

analytical standard is a defined analytical purity tier suitable for quantitative analytical methods. It specifies a minimum assay percentage, controlled limits on common impurities (water, heavy metals, residue on ignition), and lot-to-lot consistency. analytical standard is one of several purity tiers — choose based on the sensitivity and regulatory requirements of your method.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 86811-58-7, the molecular formula is C20H10Cl2F5N3O3, and the molecular weight is 506.21 g/mol. InChIKey YOWNVPAUWYHLQX-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.