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

CAS: 69770-45-2 Cat. No.: F292545 Peso molecular: 510.38 Número EC: 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

Sinónimos

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

Especificaciones y pureza

analytical standard

Condiciones de almacenamiento de almacenamiento

Room temperature

Grado

Analytical standard

Nombres e identificadores

• Sonrisas canónicas: 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-
• Isómeros 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 Alemania: 3
• Número ONU: 2810
• Peso molecular: 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
    • Clase Fatty Acyls
      • Subclass Fatty acid esters

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Clase: 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
• Descripción: 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

Propiedades químicas y físicas

• Solubilidad: Insoluble in water, soluble in methanol, acetone, xylene and other organic solvents.
• Punto de inflamación (°F): 104 °C
• Punto de inflamación (°C): 104°C
• Peso molecular: 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