α-Cypermethrin - analytical standard, ≥99% , CAS No.67375-30-8

CAS: 67375-30-8 Cat. No.: C110030 Peso molecular: 416.3 Número EC: 614-054-3

GRADE & PURITY Analytical standard, ≥99%

Synonyms

cypermethrin|52315-07-8|Supercypermethrin|Zeta-cypermethrin|alpha-cypermethrin|Beta-cypermethrin|Ripcord|Ammo|Cypermethrine|Basathrin|Cymbush|Ustaad|Agrothrin|Creokhin|Cymperator|Cypercopal|Cyperkill|Cypersect|Flectron|Hilcyperin|Neramethrin|Arrivo|Cyperc

Storage

Protected from light,Desiccated,Room temperature

Shipped In

Normal

Specifications

Sinónimos

cypermethrin | 52315-07-8 | Supercypermethrin | Zeta-cypermethrin | alpha-cypermethrin | Beta-cypermethrin | Ripcord | Ammo | Cypermethrine | Basathrin | Cymbush | Ustaad | Agrothrin | Creokhin | Cymperator | Cypercopal | Cyperkill | Cypersect | Flectron | Hilcyperin | Neramethrin | Arrivo | Cyperc

Especificaciones y pureza

analytical standard, ≥99%

Condiciones de almacenamiento de almacenamiento

Protected from light, Desiccated, Room temperature

Enviado en

Normal

Grado

Analytical standard

Pureza

≥99%

Nombres e identificadores

• Sonrisas canónicas: CC1(C(C1C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)C=C(Cl)Cl)C
• IUPAC Name: [cyano-(3-phenoxyphenyl)methyl] 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate
• InChIKey: KAATUXNTWXVJKI-UHFFFAOYSA-N
• INCHI: 1S/C22H19Cl2NO3/c1-22(2)17(12-19(23)24)20(22)21(26)28-18(13-25)14-7-6-10-16(11-14)27-15-8-4-3-5-9-15/h3-12,17-18,20H,1-2H3
• Isómeros SMILES: CC1(C(C1C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)C=C(Cl)Cl)C
• WGK Alemania: 3
• Número ONU: 2811
• Peso molecular: 416.3
• Reaxy-Rn: 5773157
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=5773157&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 Phenoxy compounds Phenol ethers Cyclopropanecarboxylic acids and derivatives Carboxylic acid esters Ketene acetals Chloroalkenes Vinyl chlorides Monocarboxylic acids and derivatives Nitriles Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides Organopnictogen compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Pyrethroid skeleton - Diphenylether - Diaryl ether - Benzyloxycarbonyl - Phenoxy compound - Phenol ether - Monocyclic benzene moiety - Cyclopropanecarboxylic acid or derivatives - Benzenoid - Carboxylic acid ester - Ketene acetal or derivatives - Carboxylic acid derivative - Ether - Chloroalkene - Monocarboxylic acid or derivatives - Carbonitrile - Nitrile - Haloalkene - Vinyl halide - Vinyl chloride - Carbonyl group - Organic oxygen compound - Organopnictogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - 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: Pyrethroid insecticides - Pyrethroid 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

Objetivos asociados (humanos)

ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)

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POLK Tbio DNA polymerase kappa (8653 Activities)

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EHMT2 Tchem Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 (93046 Activities)

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TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

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RUNX1 Tbio Runt-related transcription factor 1/Core-binding factor subunit beta (7867 Activities)

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Objetivos asociados (no humanos)

Spodoptera frugiperda (784 Activities)

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Trichoplusia ni (986 Activities)

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H4 (48 Activities)

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Heliothis virescens (272 Activities)

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Plutella xylostella (1838 Activities)

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Aphis gossypii (526 Activities)

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Bemisia tabaci (599 Activities)

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Blattella germanica (87 Activities)

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Helicoverpa zea (137 Activities)

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Spodoptera exigua (540 Activities)

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Spodoptera litura (1708 Activities)

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Nfe2l2 Nuclear factor erythroid 2-related factor 2 (214 Activities)

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Helicoverpa armigera (708 Activities)

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Nr1i2 Nuclear receptor subfamily 1 group I member 2 (14 Activities)

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Culex pipiens pallens (759 Activities)

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Trichogramma nubilale (84 Activities)

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Mecanismos de acción

Propiedades químicas y físicas

• Sensibilidad: Light sensitive.
• Punto de fusión (°C): 78-81°C
• Peso molecular: 416.300 g/mol
• XLogP3: 6.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 415.074 Da
• Monoisotopic Mass: 415.074 Da
• Topological Polar Surface Area: 59.300 Ų
• Heavy Atom Count: 28
• Formal Charge: 0
• Complexity: 643.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 3
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Referencias

1. Jiyuan Liu, Yifan Li, Pei Wang, Yalin Zhang, Zhen Tian.  (2023)  High-efficiency removal of pyrethroids using a redesigned odorant binding protein.  JOURNAL OF HAZARDOUS MATERIALS,      [PMID:37913660] [10.1016/j.jhazmat.2023.132856]

2. Kai Tian, Jing Feng, Jiang Zhu, Jiagao Cheng, Mei Li, Xinghui Qiu.  (2021)  Pyrethrin-resembling pyrethroids are metabolized more readily than heavily modified ones by CYP9As from Helicoverpa armigera.  PESTICIDE BIOCHEMISTRY AND PHYSIOLOGY,      [PMID:34119216] [10.1016/j.pestbp.2021.104871]

3. Peng Xu, Ledan Huang.  (2017)  Effects of α-cypermethrin enantiomers on the growth, biochemical parameters and bioaccumulation in Rana nigromaculata tadpoles of the anuran amphibians.  ECOTOXICOLOGY AND ENVIRONMENTAL SAFETY,      [PMID:28208115] [10.1016/j.ecoenv.2017.02.015]