Silafluofen - analytical standard , CAS No.105024-66-6

CAS: 105024-66-6 Cat. No.: S114239 Molecular Weight: 408.58 EC Number: 405-020-7

GRADE & PURITY Analytical standard

Synonyms

SCHEMBL27295 | DTXSID4057924 | F4SX221ILG | (4-Ethoxyphenyl)(3-(4-fluoro-3-phenoxyphenyl)propyl)dimethylsilane | Benzene,4-[3-[(4-ethoxyphenyl)dimethylsilyl]propyl]-1-fluoro-2-phenoxy- | Silafluofen [ISO] | C18412 | (4-ethoxyphenyl)-[3-(4-fluoro-3-phenoxy

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyms

SCHEMBL27295 | DTXSID4057924 | F4SX221ILG | (4-Ethoxyphenyl)(3-(4-fluoro-3-phenoxyphenyl)propyl)dimethylsilane | Benzene, 4-[3-[(4-ethoxyphenyl)dimethylsilyl]propyl]-1-fluoro-2-phenoxy- | Silafluofen [ISO] | C18412 | (4-ethoxyphenyl)-[3-(4-fluoro-3-phenoxy

Specifications & Purity

analytical standard

Storage

Store at 2-8°C

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Grade

Analytical standard

Names and Identifiers

• Pubchem Sid: 528772421
• Canonical Smiles: CCOC1=CC=C(C=C1)[Si](C)(C)CCCC2=CC(=C(C=C2)F)OC3=CC=CC=C3
• IUPAC Name: (4-ethoxyphenyl)-[3-(4-fluoro-3-phenoxyphenyl)propyl]-dimethylsilane
• InChIKey: HPYNBECUCCGGPA-UHFFFAOYSA-N
• INCHI: 1S/C25H29FO2Si/c1-4-27-21-13-15-23(16-14-21)29(2,3)18-8-9-20-12-17-24(26)25(19-20)28-22-10-6-5-7-11-22/h5-7,10-17,19H,4,8-9,18H2,1-3H3
• Isomeric SMILES: CCOC1=CC=C(C=C1)[Si](C)(C)CCCC2=CC(=C(C=C2)F)OC3=CC=CC=C3
• WGK Germany: 3
• Molecular Weight: 408.58
• Reaxy-Rn: 11330565
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=11330565&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Diphenylethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Diphenylethers
• Alternative Parents: Diarylethers Phenoxy compounds Phenol ethers Fluorobenzenes Alkylarylsilanes Alkyl aryl ethers Aryl fluorides Organic metalloid salts Organofluorides Hydrocarbon derivatives Alkylsilanes
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Diphenylether - Diaryl ether - Phenoxy compound - Phenol ether - Alkyl aryl ether - Alkylarylsilane - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Organic metalloid salt - Ether - Organic oxygen compound - Organohalogen compound - Organofluoride - Organooxygen compound - Alkylsilane - Organosilicon compound - Organic salt - Hydrocarbon derivative - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as diphenylethers. These are aromatic compounds containing two benzene rings linked to each other through an ether 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

Associated Targets(non-human)

Lipe Hormone-sensitive lipase (209 Activities)

Discover Target: Lipe

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Cheumatopsyche (45 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Flash Point(°F): 100 °C
• Flash Point(°C): 100°C
• Molecular Weight: 408.600 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 9
• Exact Mass: 408.192 Da
• Monoisotopic Mass: 408.192 Da
• Topological Polar Surface Area: 18.500 Ų
• Heavy Atom Count: 29
• Formal Charge: 0
• Complexity: 458.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• 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

XLogP3

References

1. Yuxuan Liu, Bei Su, Hongxin Mu, Yu Zhang, Ling Chen, Bing Wu.  (2023)  Effects of point and nonpoint source pollution on urban rivers: From the perspective of pollutant composition and toxicity.  JOURNAL OF HAZARDOUS MATERIALS,      [PMID:37703739] [10.1016/j.jhazmat.2023.132441]