Meperfluthrin - ≥95% , CAS No.915288-13-0

CAS: 915288-13-0 Cat. No.: M972317 EC Number: 804-587-1 PubChem CID: 56841697

GRADE & PURITY ≥95%

Storage

Room temperature

Specifications

Specifications & Purity

≥95%

Storage

Room temperature

Purity

≥95%

Names and Identifiers

• Canonical Smiles: CC1(C(C1C(=O)OCC2=C(C(=C(C(=C2F)F)COC)F)F)C=C(Cl)Cl)C
• IUPAC Name: [2,3,5,6-tetrafluoro-4-(methoxymethyl)phenyl]methyl (1R,3S)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate
• InChIKey: MWFQAAWRPDRKDG-KOLCDFICSA-N
• INCHI: 1S/C17H16Cl2F4O3/c1-17(2)9(4-10(18)19)11(17)16(24)26-6-8-14(22)12(20)7(5-25-3)13(21)15(8)23/h4,9,11H,5-6H2,1-3H3/t9-,11+/m1/s1
• Isomeric SMILES: CC1([C@@H]([C@H]1C(=O)OCC2=C(C(=C(C(=C2F)F)COC)F)F)C=C(Cl)Cl)C
• Alternate CAS: 915288-13-0
• PubChem CID: 56841697

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Benzyloxycarbonyls

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Benzyloxycarbonyls
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzyloxycarbonyls
• Alternative Parents: Benzylethers Fluorobenzenes Cyclopropanecarboxylic acids and derivatives Aryl fluorides Ketene acetals Carboxylic acid esters Vinyl chlorides Monocarboxylic acids and derivatives Dialkyl ethers Chloroalkenes Organofluorides Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzyloxycarbonyl - Benzylether - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Cyclopropanecarboxylic acid or derivatives - Carboxylic acid ester - Ketene acetal or derivatives - Chloroalkene - Carboxylic acid derivative - Haloalkene - Vinyl halide - Dialkyl ether - Ether - Vinyl chloride - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Carbonyl group - Organic oxygen compound - Organooxygen compound - Organofluoride - Organic oxide - Organohalogen compound - Organochloride - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as benzyloxycarbonyls. These are organic compounds containing a carbonyl group substituted with a benzyloxyl 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

Chemical and Physical Properties

• Molecular Weight: 415.200 g/mol
• XLogP3: 4.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 7
• Exact Mass: 414.041 Da
• Monoisotopic Mass: 414.041 Da
• Topological Polar Surface Area: 35.500 Ų
• Heavy Atom Count: 26
• Formal Charge: 0
• Complexity: 540.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1