Bifenthrin solution - analytical standard, 100ug/ml in petroleum ether , CAS No.82657-04-3

CAS: 82657-04-3 Cat. No.: B109852 分子式: C₂₃H₂₂ClF₃O₂ 分子量: 422.87 EC番号: 617-373-6

GRADE & PURITY Analytical standard, 100ug/ml in petroleum ether

Synonyms

Bifenthrin (mixture of enantiomers) | CHEBI:3093 | Onyx 6 Special Order | CYCLOPROPANECARBOXYLIC ACID, 3-((1Z)-2-CHLORO-3,3,3-TRIFLUORO-1-PROPEN-1-YL)-2,2-DIMETHYL-, (2-METHYL(1,1'-BIPHENYL)-3-YL)METHYL ESTER, (1R,3R)- | Cyclopropanecarboxylic acid, 3-(2-

Storage

Protected from light,Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

同義語

Bifenthrin (mixture of enantiomers) | CHEBI:3093 | Onyx 6 Special Order | CYCLOPROPANECARBOXYLIC ACID, 3-((1Z)-2-CHLORO-3,3,3-TRIFLUORO-1-PROPEN-1-YL)-2,2-DIMETHYL-, (2-METHYL(1,1'-BIPHENYL)-3-YL)METHYL ESTER, (1R,3R)- | Cyclopropanecarboxylic acid, 3-(2-

仕様と純度

analytical standard, 100ug/ml in petroleum ether

保管条件

Protected from light,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。

等級

分析用標準物質

名前と識別子

パブケム・シド

528774752

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/528774752

カノニカル・スマイル

CC1=C(C=CC=C1C2=CC=CC=C2)COC(=O)C3C(C3(C)C)C=C(C(F)(F)F)Cl

IUPAC Name

(2-methyl-3-phenylphenyl)methyl (1R,3R)-3-[(Z)-2-chloro-3,3,3-trifluoroprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylate

InChIKey

OMFRMAHOUUJSGP-IRHGGOMRSA-N

INCHI

1S/C23H22ClF3O2/c1-14-16(10-7-11-17(14)15-8-5-4-6-9-15)13-29-21(28)20-18(22(20,2)3)12-19(24)23(25,26)27/h4-12,18,20H,13H2,1-3H3/b19-12-/t18-,20-/m0/s1

異性体SMILES

CC1=C(C=CC=C1C2=CC=CC=C2)COC(=O)[C@@H]3[C@@H](C3(C)C)/C=C(/C(F)(F)F)\Cl

WGKドイツ

3

UN番号

2588

包装グループ

I

分子量

422.87

Reaxy-Rn

13212381

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=13212381&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 分類 Benzene and substituted derivatives
      • Subclass Biphenyls and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: Benzene and substituted derivatives
• Subclass: Biphenyls and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Biphenyls and derivatives
• Alternative Parents: Benzyloxycarbonyls Toluenes Cyclopropanecarboxylic acids and derivatives Carboxylic acid esters Vinyl chlorides Monocarboxylic acids and derivatives Chloroalkenes Organofluorides Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Biphenyl - Benzyloxycarbonyl - Toluene - Cyclopropanecarboxylic acid or derivatives - Carboxylic acid ester - Carboxylic acid derivative - Chloroalkene - Haloalkene - Vinyl halide - Vinyl chloride - Monocarboxylic acid or derivatives - Alkyl fluoride - Organohalogen compound - Organochloride - Organofluoride - Organooxygen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic oxygen compound - Alkyl halide - Aromatic homomonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as biphenyls and derivatives. These are organic compounds containing to benzene rings linked together by a C-C bond.
• External Descriptors: organofluorine compound - carboxylic ester - organochlorine compound - cyclopropanes

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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作用メカニズム

化学的性質と物理的性質

• 感度: Light sensitive.
• 引火点（°C）: 8°C
• 分子量: 422.900 g/mol
• XLogP3: 6.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 422.126 Da
• Monoisotopic Mass: 422.126 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 29
• Formal Charge: 0
• Complexity: 622.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1