β-Cyfluthrin solution - analytical standard, 100ug/ml in hexane , CAS No.68359-37-5

CAS: 68359-37-5 Cat. No.: C109858 Formula: C₂₂H₁₈Cl₂FNO₃ Molecular Weight: 434.29 Beilstein Registry Number: 2788149 EC Number: 269-855-7

GRADE & PURITY Analytical standard, 100ug/ml in hexane

Synonyms

UNII-SCM2QLZ6S0 | SCM2QLZ6S0 | Solfac | Tox21_300645 | BAY VL 1704 | MFCD00078636 | Sofac | Cyfluthrin 10 microg/mL in Cyclohexane | CYFLUTHRIN [MI] | FCR 4545 | DB13828 | AI3-29604 | Cylence (TN) | Rectalad-aminophylline | CYFLUTHRIN [JAN] | BRN 2788149

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

UNII-SCM2QLZ6S0 | SCM2QLZ6S0 | Solfac | Tox21_300645 | BAY VL 1704 | MFCD00078636 | Sofac | Cyfluthrin 10 microg/mL in Cyclohexane | CYFLUTHRIN [MI] | FCR 4545 | DB13828 | AI3-29604 | Cylence (TN) | Rectalad-aminophylline | CYFLUTHRIN [JAN] | BRN 2788149

Specifications & Purity

analytical standard, 100ug/ml in hexane

Storage

Room temperature

Shipped In

Normal

Grade

Analytical standard

Names and Identifiers

• Pubchem Sid: 528772416
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/528772416
• Canonical Smiles: CC1(C(C1C(=O)OC(C#N)C2=CC(=C(C=C2)F)OC3=CC=CC=C3)C=C(Cl)Cl)C
• IUPAC Name: [cyano-(4-fluoro-3-phenoxyphenyl)methyl] 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate
• InChIKey: QQODLKZGRKWIFG-UHFFFAOYSA-N
• INCHI: 1S/C22H18Cl2FNO3/c1-22(2)15(11-19(23)24)20(22)21(27)29-18(12-26)13-8-9-16(25)17(10-13)28-14-6-4-3-5-7-14/h3-11,15,18,20H,1-2H3
• Isomeric SMILES: CC1(C(C1C(=O)OC(C#N)C2=CC(=C(C=C2)F)OC3=CC=CC=C3)C=C(Cl)Cl)C
• WGK Germany: 3
• UN Number: 3352
• Packing Group: I
• Molecular Weight: 434.29
• Beilstein: 2788149
• Reaxy-Rn: 2788149
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2788149&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Class: Fatty Acyls
• Subclass: Fatty acid esters
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyrethroids
• Alternative Parents: Diphenylethers Diarylethers Benzyloxycarbonyls Phenoxy compounds Phenol ethers Fluorobenzenes Aryl fluorides Cyclopropanecarboxylic acids and derivatives Carboxylic acid esters Ketene acetals Nitriles Chloroalkenes Vinyl chlorides Monocarboxylic acids and derivatives Hydrocarbon derivatives Organic oxides Organochlorides Organofluorides Carbonyl compounds Organopnictogen compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Pyrethroid skeleton - Diphenylether - Diaryl ether - Benzyloxycarbonyl - Phenoxy compound - Phenol ether - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Cyclopropanecarboxylic acid or derivatives - Benzenoid - Carboxylic acid ester - Ketene acetal or derivatives - Carboxylic acid derivative - Chloroalkene - Haloalkene - Ether - Vinyl halide - Vinyl chloride - Monocarboxylic acid or derivatives - Carbonitrile - Nitrile - Organic oxide - Organopnictogen compound - Organic oxygen compound - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Organohalogen compound - Organochloride - Organofluoride - Organonitrogen compound - Aromatic homomonocyclic compound
• Description: 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

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

Associated Targets(non-human)

Drosophila suzukii (43 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Symmetrischema tangolias (16 Activities)

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Phthorimaea operculella (16 Activities)

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Sitophilus oryzae (115 Activities)

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Mechanisms of Action

Chemical and Physical Properties

• Molecular Weight: 434.300 g/mol
• XLogP3: 6.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 7
• Exact Mass: 433.065 Da
• Monoisotopic Mass: 433.065 Da
• Topological Polar Surface Area: 59.300 Ų
• Heavy Atom Count: 29
• Formal Charge: 0
• Complexity: 679.000
• 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