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

CAS: 124495-18-7 Cat. No.: Q114963 Peso molecular: 308.13 Número EC: 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

Sinónimos

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

Especificaciones y pureza

analytical standard

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Grado

Analytical standard

Nombres e identificadores

• Sonrisas canónicas: 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
• Isómeros SMILES: C1=CC(=CC=C1OC2=C3C(=CC(=CC3=NC=C2)Cl)Cl)F
• WGK Alemania: 3
• PubChem CID: 3391107
• Número ONU: 3077
• Peso molecular: 308.13

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Clase: 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
• Descripción: 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

Objetivos asociados (humanos)

ESR1 Tclin Estrogen receptor alpha (17718 Activities)

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NR3C1 Tclin Glucocorticoid receptor (14987 Activities)

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AR Tclin Androgen Receptor (11781 Activities)

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VDR Tclin Vitamin D receptor (26531 Activities)

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PPARG Tclin Peroxisome proliferator-activated receptor gamma (15191 Activities)

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RXRA Tclin Retinoid X receptor alpha (3637 Activities)

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NR1H4 Tclin Bile acid receptor FXR (6228 Activities)

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Objetivos asociados (no humanos)

Ppard Peroxisome proliferator-activated receptor delta (358 Activities)

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Nfe2l2 Nuclear factor erythroid 2-related factor 2 (214 Activities)

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Nr1i2 Nuclear receptor subfamily 1 group I member 2 (14 Activities)

Discover Target: Nr1i2

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Cucurbita maxima x Cucurbita moschata (14 Activities)

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Erysiphe necator (54 Activities)

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Podosphaera xanthii (125 Activities)

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Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Insoluble in water; Very soluble in dichloromethane; Soluble in Toluene,Acetone; Slightly soluble in Methanol
• Punto de inflamación (°F): >100 °C
• Punto de inflamación (°C): >100°C
• Punto de fusión (°C): 108 °C
• Peso molecular: 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

Referencias

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]