Cypermethrin - analytical standard, Moligand™ , CAS No.52315-07-8

CAS: 52315-07-8 Cat. No.: C109861 分子式: C₂₂H₁₉Cl₂NO₃ 分子量: 416.3 Beilstein Registry Number: 8444118 EC番号: 257-842-9

グレード＆純度 Analytical standard, Moligand™

Synonyms

Alphamethrine

Storage

Store at 2-8°C,Protected from light,Desiccated

Shipped In

Wet ice,FedEx DG Service

仕様

同義語

Alphamethrine

仕様と純度

analytical standard, Moligand™

生化学的・生理学的メカニズム

Synthetic pyrethroid. Interacts with sodium channels inducing cellular hyperexcitability leading to neurotoxicity. Additionally inhibits calcineurin. Active in vivo . Blood-brain barrier permeable.

保管条件

Store at 2-8°C,Protected from light,Desiccated

入荷

Wet ice,FedEx DG Service

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

Moligand™, 分析用標準物質

注

Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one week. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Toxic, refer to SDS for further information. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

名前と識別子

パブケム・シド

504750619

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/504750619

カノニカル・スマイル

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

異性体SMILES

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

WGKドイツ

3

代替CAS番号

86753-92-6

UN番号

3077

包装グループ

III

分子量

416.3

Beilstein

8444118

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
    • 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 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
• 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: 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

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

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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.
• 屈折率: 1.57
• 引火点（°C）: 100°C
• 融点（°C）: 60-80°C
• 分子量: 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