Cyphenothrin - analytical standard , CAS No.39515-40-7

CAS: 39515-40-7 Cat. No.: C292550 분자식: C₂₄H₂₅NO₃ 분자량: 375.46 EC 번호: 254-484-5

GRADE & PURITY Analytical standard

Synonyms

CHEBI:31450 | Cyphenothrin, PESTANAL(R), analytical standard | SP 2703 | MFCD01960864 | [cyano-(3-phenoxyphenyl)methyl] 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate | AS-15556 | Tox21_301919 | cyano(3-phenoxyphenyl)methyl 2,2-dimethyl-3-

Storage

Room temperature

Specifications

동의어

CHEBI:31450 | Cyphenothrin, PESTANAL(R), analytical standard | SP 2703 | MFCD01960864 | [cyano-(3-phenoxyphenyl)methyl] 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate | AS-15556 | Tox21_301919 | cyano(3-phenoxyphenyl)methyl 2,2-dimethyl-3-

사양 및 순도

analytical standard

보관 조건

Room temperature

등급

분석 표준물질

이름과 식별자

정식 스마일

CC(=CC1C(C1(C)C)C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)C

IUPAC Name

[cyano-(3-phenoxyphenyl)methyl] 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate

InChIKey

FJDPATXIBIBRIM-UHFFFAOYSA-N

INCHI

1S/C24H25NO3/c1-16(2)13-20-22(24(20,3)4)23(26)28-21(15-25)17-9-8-12-19(14-17)27-18-10-6-5-7-11-18/h5-14,20-22H,1-4H3

이성체 SMILES

CC(=CC1C(C1(C)C)C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)C

WGK 독일

3

RTECS

GZ1453500

UN 번호

3082

분자량

375.46

Reaxy-Rn

2904235

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2904235&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• 분류: Fatty Acyls
• Subclass: Fatty acid esters
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyrethroids
• Alternative Parents: Diphenylethers Diarylethers Monocyclic monoterpenoids Benzyloxycarbonyls Aromatic monoterpenoids Phenoxy compounds Phenol ethers Cyclopropanecarboxylic acids and derivatives Carboxylic acid esters Nitriles Monocarboxylic acids and derivatives Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Pyrethroid skeleton - Diphenylether - Diaryl ether - Aromatic monoterpenoid - Benzyloxycarbonyl - Monocyclic monoterpenoid - Monoterpenoid - Phenoxy compound - Phenol ether - Monocyclic benzene moiety - Cyclopropanecarboxylic acid or derivatives - Benzenoid - Carboxylic acid ester - Carbonitrile - Monocarboxylic acid or derivatives - Ether - Carboxylic acid derivative - Nitrile - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic homomonocyclic compound
• 설명: 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

화학 및 물리적 특성

• 용해성: Soluble in hexane, xylene and other organic solvents.
• 분자량: 375.500 g/mol
• XLogP3: 5.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 375.183 Da
• Monoisotopic Mass: 375.183 Da
• Topological Polar Surface Area: 59.300 Ų
• Heavy Atom Count: 28
• Formal Charge: 0
• Complexity: 633.000
• 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