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

CAS: 118712-89-3 Cat. No.: T114831 분자식: C₁₅H₁₂Cl₂F₄O₂ 분자량: 371.15 EC 번호: 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

개요

A fluorinated aromatic compound for proteomics research

Specifications

동의어

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,

사양 및 순도

analytical standard

보관 조건

Room temperature,Argon charged

배송

Normal

등급

분석 표준물질

이름과 식별자

Pubchem Sid

508813063

정식 스마일

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

이성체 SMILES

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

WGK 독일

2

UN 번호

2811

분자량

371.15

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: 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
• 설명: 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

화학 및 물리적 특성

• 감도: Air sensitive
• 발화점(°F): >95 ℉
• 발화점(°C): >35°C
• 녹는점(°C): 32 °C
• 분자량: 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