Flumethrin - analytical standard , CAS No.69770-45-2

CAS: 69770-45-2 Cat. No.: F292545 分子式: C₂₈H₂₂Cl₂FNO₃ 分子量: 510.38 EC番号: 274-110-4

GRADE & PURITY Analytical standard

Synonyms

SCHEMBL115813 | UNII-2O051W13LH | [cyano-(4-fluoranyl-3-phenoxy-phenyl)methyl] 3-[(Z)-2-chloranyl-2-(4-chlorophenyl)ethenyl]-2,2-dimethyl-cyclopropane-1-carboxylate | AKOS016014431 | Flumethrin | Lutetium Dihydride | Cyano(4-fluoro-3-phenoxyphenyl)methyl

Storage

Room temperature

Specifications

同義語

SCHEMBL115813 | UNII-2O051W13LH | [cyano-(4-fluoranyl-3-phenoxy-phenyl)methyl] 3-[(Z)-2-chloranyl-2-(4-chlorophenyl)ethenyl]-2,2-dimethyl-cyclopropane-1-carboxylate | AKOS016014431 | Flumethrin | Lutetium Dihydride | Cyano(4-fluoro-3-phenoxyphenyl)methyl

仕様と純度

analytical standard

保管条件

Room temperature

等級

分析用標準物質

名前と識別子

カノニカル・スマイル

CC1(C(C1C(=O)OC(C#N)C2=CC(=C(C=C2)F)OC3=CC=CC=C3)C=C(C4=CC=C(C=C4)Cl)Cl)C

IUPAC Name

[cyano-(4-fluoro-3-phenoxyphenyl)methyl] 3-[(Z)-2-chloro-2-(4-chlorophenyl)ethenyl]-2,2-dimethylcyclopropane-1-carboxylate

InChIKey

YXWCBRDRVXHABN-JCMHNJIXSA-N

INCHI

1S/C28H22Cl2FNO3/c1-28(2)21(15-22(30)17-8-11-19(29)12-9-17)26(28)27(33)35-25(16-32)18-10-13-23(31)24(14-18)34-20-6-4-3-5-7-20/h3-15,21,25-26H,1-2H3/b22-15-

異性体SMILES

CC1(C(C1C(=O)OC(C#N)C2=CC(=C(C=C2)F)OC3=CC=CC=C3)/C=C(/C4=CC=C(C=C4)Cl)\Cl)C

WGKドイツ

3

UN番号

2810

分子量

510.38

Reaxy-Rn

2925940

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2925940&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • 分類 Fatty Acyls
      • Subclass Fatty acid esters

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• 分類: Fatty Acyls
• Subclass: Fatty acid esters
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyrethroids
• Alternative Parents: Diphenylethers Diarylethers Benzyloxycarbonyls Styrenes Phenoxy compounds Phenol ethers Fluorobenzenes Chlorobenzenes Aryl chlorides Aryl fluorides Cyclopropanecarboxylic acids and derivatives Carboxylic acid esters Vinyl chlorides Nitriles Monocarboxylic acids and derivatives Chloroalkenes Hydrocarbon derivatives Organic oxides Carbonyl compounds Organochlorides Organofluorides Organopnictogen compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Pyrethroid skeleton - Diphenylether - Diaryl ether - Benzyloxycarbonyl - Phenoxy compound - Phenol ether - Styrene - Chlorobenzene - Fluorobenzene - Halobenzene - Aryl chloride - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Cyclopropanecarboxylic acid or derivatives - Benzenoid - Carboxylic acid ester - Vinyl halide - Vinyl chloride - Haloalkene - Chloroalkene - Nitrile - Carbonitrile - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Ether - Organonitrogen compound - Organopnictogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Carbonyl group - Organooxygen compound - Organohalogen compound - Organochloride - Organic nitrogen compound - Organofluoride - Aromatic homomonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as pyrethroids. These are organic compounds similar to the pyrethrins. Some pyrethroids containing a chrysanthemic acid esterified with a cyclopentenone (pyrethrins), or with a phenoxybenzyl group.
• External Descriptors: Not available

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

化学的性質と物理的性質

• 溶解度: Insoluble in water, soluble in methanol, acetone, xylene and other organic solvents.
• 引火点（°F）: 104 °C
• 引火点（°C）: 104°C
• 分子量: 510.400 g/mol
• XLogP3: 7.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 8
• Exact Mass: 509.096 Da
• Monoisotopic Mass: 509.096 Da
• Topological Polar Surface Area: 59.300 Ų
• Heavy Atom Count: 35
• Formal Charge: 0
• Complexity: 825.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 3
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1

よくある質問

How should this product be stored?

Store at room temperature.

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.

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.

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

The CAS Number is 69770-45-2, the molecular formula is C28H22Cl2FNO3, and the molecular weight is 510.38 g/mol. InChIKey YXWCBRDRVXHABN-JCMHNJIXSA-N.