Novaluron - ≥98% , CAS No.116714-46-6

CAS: 116714-46-6 Cat. No.: N132453 分子式: C₁₇H₉ClF₈N₂O₄ 分子量: 492.7 Beilstein Registry Number: 5465888 EC番号: 601-443-8

GRADE & PURITY ≥98%

Synonyms

DTXSID5034773 | (Z)-N-Phenyl-9-octadeceneamide | Rimon | UNII-Z8H1B3CW0B | 1-[3-Chloro-4-(1,1,2-trifluoro-2-trifluoromethoxyethoxy)phenyl]-3-(2,6-difluorobenzoyl)urea | NOVALURON [MI] | Benzamide, N-(((3-chloro-4-(1,1,2-trifluoro-2-(trifluoromethoxy)ethox

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

概要

Novaluron (Rimon) belongs to the class of insecticides called insect growth regulators with pesticide properties.

Specifications

同義語

DTXSID5034773 | (Z)-N-Phenyl-9-octadeceneamide | Rimon | UNII-Z8H1B3CW0B | 1-[3-Chloro-4-(1,1,2-trifluoro-2-trifluoromethoxyethoxy)phenyl]-3-(2,6-difluorobenzoyl)urea | NOVALURON [MI] | Benzamide, N-(((3-chloro-4-(1,1,2-trifluoro-2-(trifluoromethoxy)ethox

仕様と純度

≥98%

生化学的・生理学的メカニズム

Novaluron is a chemical with pesticide properties, belonging to the class of insecticides called insect growth regulators.

保管条件

Store at -20°C

入荷

Ice chest + Ice pads

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

純度

≥98%

名前と識別子

• パブケム・シド: 508812749
• カノニカル・スマイル: C1=CC(=C(C(=C1)F)C(=O)NC(=O)NC2=CC(=C(C=C2)OC(C(OC(F)(F)F)F)(F)F)Cl)F
• IUPAC Name: N-[[3-chloro-4-[1,1,2-trifluoro-2-(trifluoromethoxy)ethoxy]phenyl]carbamoyl]-2,6-difluorobenzamide
• InChIKey: NJPPVKZQTLUDBO-UHFFFAOYSA-N
• INCHI: 1S/C17H9ClF8N2O4/c18-8-6-7(4-5-11(8)31-16(22,23)14(21)32-17(24,25)26)27-15(30)28-13(29)12-9(19)2-1-3-10(12)20/h1-6,14H,(H2,27,28,29,30)
• 異性体SMILES: C1=CC(=C(C(=C1)F)C(=O)NC(=O)NC2=CC(=C(C=C2)OC(C(OC(F)(F)F)F)(F)F)Cl)F
• WGKドイツ: 2
• 分子量: 492.7
• Beilstein: 5465888
• Reaxy-Rn: 5465888
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=5465888&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 分類 Phenol ethers

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: Phenol ethers
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenol ethers
• Alternative Parents: Phenoxy compounds Fluorobenzenes Chlorobenzenes Aryl fluorides Aryl chlorides Trihalomethanes Propargyl-type 1,3-dipolar organic compounds Carboximidic acids and derivatives Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organofluorides Organochlorides Hydrocarbon derivatives Alkyl fluorides
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenoxy compound - Phenol ether - Chlorobenzene - Fluorobenzene - Halobenzene - Aryl chloride - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Trihalomethane - Carboximidic acid derivative - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Alkyl fluoride - Organochloride - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Halomethane - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Alkyl halide - Aromatic homomonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as phenol ethers. These are aromatic compounds containing an ether group substituted with a benzene ring.
• External Descriptors: Pesticides

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

関連ターゲット（人間）

THRB Tclin Thyroid hormone receptor beta-1 (7926 Activities)

Discover Target: THRB

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

関連ターゲット（非人間）

Spodoptera littoralis (798 Activities)

Explore this target

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

Bemisia tabaci (599 Activities)

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

Cydia pomonella (354 Activities)

Explore this target

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

作用メカニズム

化学的性質と物理的性質

• 引火点（°F）: 395.6 °F
• 引火点（°C）: 202 °C
• 分子量: 492.700 g/mol
• XLogP3: 5.800
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 6
• Exact Mass: 492.012 Da
• Monoisotopic Mass: 492.012 Da
• Topological Polar Surface Area: 76.700 Ų
• Heavy Atom Count: 32
• Formal Charge: 0
• Complexity: 661.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

参考文献

1. 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]

2. Yifan Li, Shujun Ni, Yunping Wang, Ruichi Li, Hong Sun, Xuan Ye, Zhen Tian, Yalin Zhang, Jiyuan Liu.  (2023)  The chemosensory protein 1 contributes to indoxacarb resistance in Plutella xylostella (L.).  PEST MANAGEMENT SCIENCE,      [PMID:36809665] [10.1002/ps.7415]

3. 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]

4. Junhong Xin, Yiran Zhou, Xia Wang, Guiju Xu, Meng Xie, Lu Liu, Rusong Zhao, Yongning Wu, Minglin Wang.  (2021)  Room-temperature synthesis of magnetic covalent organic frameworks for analyzing trace benzoylurea insecticide residue in tea beverages.  FOOD CHEMISTRY,      [PMID:33493838] [10.1016/j.foodchem.2021.129075]