Transfluthrin - analytical standard , CAS No.118712-89-3

CAS: 118712-89-3 Cat. No.: T114831 分子式: C₁₅H₁₂Cl₂F₄O₂ 分子量: 371.15 EC番号: 405-060-5

GRADE & PURITY Analytical standard

Synonyms

HY-W075176 | Benfluthrin | Q418421 | 2,3,5,6-tetrafluorobenzyl (1R,3S)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarboxylate | CAS-118712-89-3 | MFCD11045989 | Transfluthrin | AKOS015899270 | UNII-QWL3SKA6EG | 2,3,5,6-Tetrafluorobenzyl (1R,3S)-3-(2,

Storage

Room temperature,Argon charged

Shipped In

Normal

概要

A fluorinated aromatic compound for proteomics research

Specifications

同義語

HY-W075176 | Benfluthrin | Q418421 | 2,3,5,6-tetrafluorobenzyl (1R,3S)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarboxylate | CAS-118712-89-3 | MFCD11045989 | Transfluthrin | AKOS015899270 | UNII-QWL3SKA6EG | 2,3,5,6-Tetrafluorobenzyl (1R,3S)-3-(2,

仕様と純度

analytical standard

保管条件

Room temperature,Argon charged

入荷

Normal

等級

分析用標準物質

名前と識別子

パブケム・シド

508813063

カノニカル・スマイル

CC1(C(C1C(=O)OCC2=C(C(=CC(=C2F)F)F)F)C=C(Cl)Cl)C

IUPAC Name

(2,3,5,6-tetrafluorophenyl)methyl (1R,3S)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate

InChIKey

DDVNRFNDOPPVQJ-HQJQHLMTSA-N

INCHI

1S/C15H12Cl2F4O2/c1-15(2)7(3-10(16)17)11(15)14(22)23-5-6-12(20)8(18)4-9(19)13(6)21/h3-4,7,11H,5H2,1-2H3/t7-,11+/m1/s1

異性体SMILES

CC1([C@@H]([C@H]1C(=O)OCC2=C(C(=CC(=C2F)F)F)F)C=C(Cl)Cl)C

WGKドイツ

2

UN番号

2811

分子量

371.15

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: Benzene and substituted derivatives
• Subclass: Benzyloxycarbonyls
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzyloxycarbonyls
• Alternative Parents: Fluorobenzenes Cyclopropanecarboxylic acids and derivatives Aryl fluorides Ketene acetals Carboxylic acid esters Vinyl chlorides Monocarboxylic acids and derivatives Chloroalkenes Organofluorides Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzyloxycarbonyl - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Cyclopropanecarboxylic acid or derivatives - Carboxylic acid ester - Ketene acetal or derivatives - Carboxylic acid derivative - Chloroalkene - Haloalkene - Vinyl halide - Vinyl chloride - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Carbonyl group - Organooxygen compound - Organohalogen compound - Organochloride - Organofluoride - Aromatic homomonocyclic compound
• 説明: 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: 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

化学的性質と物理的性質

• 感度: Air sensitive
• 引火点（°F）: >95 ℉
• 引火点（°C）: >35°C
• 融点（°C）: 32 °C
• 分子量: 371.200 g/mol
• XLogP3: 5.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 5
• Exact Mass: 370.015 Da
• Monoisotopic Mass: 370.015 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 482.000
• 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