Quinoxyfen - analytical standard , CAS No.124495-18-7

CAS: 124495-18-7 Cat. No.: Q114963 Formule: C₁₅H₈Cl₂FNO Poids moléculaire: 308.13 Numéro CE: 602-997-3 PubChem CID: 3391107

GRADE & PURITY Analytical standard

Synonyms

5,7-dichloro-4-(4-fluorophenoxy)quinoline | NCGC00163706-02 | NCGC00254747-01 | QUINTEC | DTXCID0014881 | C18892 | DTXSID2034881 | Quinoxyfen 10 microg/mL in Acetonitrile | Q961155 | 5,7-dichloro-4-quinolyl 4-fluorophenyl ether | Legend | SCHEMBL22257 | E

Storage

Room temperature

Shipped In

Normal

Specifications

Synonymes

5,7-dichloro-4-(4-fluorophenoxy)quinoline | NCGC00163706-02 | NCGC00254747-01 | QUINTEC | DTXCID0014881 | C18892 | DTXSID2034881 | Quinoxyfen 10 microg/mL in Acetonitrile | Q961155 | 5,7-dichloro-4-quinolyl 4-fluorophenyl ether | Legend | SCHEMBL22257 | E

Spécifications et pureté

analytical standard

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Grade

Étalon d'analyse

Noms et identifiants

• Pubchem Sid: 528775321
• Sourires canoniques: C1=CC(=CC=C1OC2=C3C(=CC(=CC3=NC=C2)Cl)Cl)F
• IUPAC Name: 5,7-dichloro-4-(4-fluorophenoxy)quinoline
• InChIKey: WRPIRSINYZBGPK-UHFFFAOYSA-N
• INCHI: 1S/C15H8Cl2FNO/c16-9-7-12(17)15-13(8-9)19-6-5-14(15)20-11-3-1-10(18)2-4-11/h1-8H
• Isomères SMILES: C1=CC(=CC=C1OC2=C3C(=CC(=CC3=NC=C2)Cl)Cl)F
• WGK Allemagne: 3
• PubChem CID: 3391107
• Numéro ONU: 3077
• Poids moléculaire: 308.13

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Classe Organooxygen compounds
      • Subclass Ethers

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Classe: Organooxygen compounds
• Subclass: Ethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Diarylethers
• Alternative Parents: Chloroquinolines Phenoxy compounds Phenol ethers Fluorobenzenes Pyridines and derivatives Aryl fluorides Aryl chlorides Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organofluorides Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Diaryl ether - Haloquinoline - Chloroquinoline - Quinoline - Phenoxy compound - Phenol ether - Fluorobenzene - Halobenzene - Benzenoid - Pyridine - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Aryl chloride - Heteroaromatic compound - Organoheterocyclic compound - Azacycle - Hydrocarbon derivative - Organohalogen compound - Organic nitrogen compound - Organochloride - Organofluoride - Organonitrogen compound - Organopnictogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as diarylethers. These are organic compounds containing the dialkyl ether functional group, with the formula ROR', where R and R' are aryl groups.
• External Descriptors: Pesticides

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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Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: Insoluble in water; Very soluble in dichloromethane; Soluble in Toluene,Acetone; Slightly soluble in Methanol
• Point d'éclair (°F): >100 °C
• Point d'éclair (°C): >100°C
• Point de fusion (°C): 108 °C
• Poids moléculaire: 308.100 g/mol
• XLogP3: 5.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 306.997 Da
• Monoisotopic Mass: 306.997 Da
• Topological Polar Surface Area: 22.100 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 325.000
• 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

Références

1. Ruiyu Liang, Yi Peng, Yuling Hu, Gongke Li.  (2019)  A hybrid triazine-imine core-shell magnetic covalent organic polymer for analysis of pesticides in fruit samples by ultra high performance liquid chromatography with tandem mass spectrometry.  JOURNAL OF SEPARATION SCIENCE,  42  (7): (1432-1439).  [PMID:30680889] [10.1002/jssc.201801299]