Bifenthrin solution - analytical standard, 100ug/ml in petroleum ether , CAS No.82657-04-3

CAS: 82657-04-3 Cat. No.: B109852 분자식: C₂₃H₂₂ClF₃O₂ 분자량: 422.87 EC 번호: 617-373-6

GRADE & PURITY Analytical standard, 100ug/ml in petroleum ether

Synonyms

Bifenthrin (mixture of enantiomers) | CHEBI:3093 | Onyx 6 Special Order | CYCLOPROPANECARBOXYLIC ACID, 3-((1Z)-2-CHLORO-3,3,3-TRIFLUORO-1-PROPEN-1-YL)-2,2-DIMETHYL-, (2-METHYL(1,1'-BIPHENYL)-3-YL)METHYL ESTER, (1R,3R)- | Cyclopropanecarboxylic acid, 3-(2-

Storage

Protected from light,Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

동의어

Bifenthrin (mixture of enantiomers) | CHEBI:3093 | Onyx 6 Special Order | CYCLOPROPANECARBOXYLIC ACID, 3-((1Z)-2-CHLORO-3,3,3-TRIFLUORO-1-PROPEN-1-YL)-2,2-DIMETHYL-, (2-METHYL(1,1'-BIPHENYL)-3-YL)METHYL ESTER, (1R,3R)- | Cyclopropanecarboxylic acid, 3-(2-

사양 및 순도

analytical standard, 100ug/ml in petroleum ether

보관 조건

Protected from light,Store at -20°C

배송

Ice chest + Ice pads

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등급

분석 표준물질

이름과 식별자

Pubchem Sid

528774752

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/528774752

정식 스마일

CC1=C(C=CC=C1C2=CC=CC=C2)COC(=O)C3C(C3(C)C)C=C(C(F)(F)F)Cl

IUPAC Name

(2-methyl-3-phenylphenyl)methyl (1R,3R)-3-[(Z)-2-chloro-3,3,3-trifluoroprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylate

InChIKey

OMFRMAHOUUJSGP-IRHGGOMRSA-N

INCHI

1S/C23H22ClF3O2/c1-14-16(10-7-11-17(14)15-8-5-4-6-9-15)13-29-21(28)20-18(22(20,2)3)12-19(24)23(25,26)27/h4-12,18,20H,13H2,1-3H3/b19-12-/t18-,20-/m0/s1

이성체 SMILES

CC1=C(C=CC=C1C2=CC=CC=C2)COC(=O)[C@@H]3[C@@H](C3(C)C)/C=C(/C(F)(F)F)\Cl

WGK 독일

3

UN 번호

2588

포장 그룹

I

분자량

422.87

Reaxy-Rn

13212381

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=13212381&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: Benzene and substituted derivatives
• Subclass: Biphenyls and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Biphenyls and derivatives
• Alternative Parents: Benzyloxycarbonyls Toluenes Cyclopropanecarboxylic acids and derivatives Carboxylic acid esters Vinyl chlorides Monocarboxylic acids and derivatives Chloroalkenes Organofluorides Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Biphenyl - Benzyloxycarbonyl - Toluene - Cyclopropanecarboxylic acid or derivatives - Carboxylic acid ester - Carboxylic acid derivative - Chloroalkene - Haloalkene - Vinyl halide - Vinyl chloride - Monocarboxylic acid or derivatives - Alkyl fluoride - Organohalogen compound - Organochloride - Organofluoride - Organooxygen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic oxygen compound - Alkyl halide - Aromatic homomonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as biphenyls and derivatives. These are organic compounds containing to benzene rings linked together by a C-C bond.
• External Descriptors: organofluorine compound - carboxylic ester - organochlorine compound - cyclopropanes

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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작용 메커니즘

화학 및 물리적 특성

• 감도: Light sensitive.
• 발화점(°C): 8°C
• 분자량: 422.900 g/mol
• XLogP3: 6.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 422.126 Da
• Monoisotopic Mass: 422.126 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 29
• Formal Charge: 0
• Complexity: 622.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1