8-Hydroxyquinoline copper(II) salt - ≥98% , CAS No.13014-03-4

CAS: 13014-03-4 Cat. No.: H113449 Peso molecular: 351.85 Número EC: 625-178-2

GRADE & PURITY ≥98%

Synonyms

Oxine-copper|10380-28-6|13014-03-4|Copper 8-hydroxyquinolinate|BIS(QUINOLIN-8-YLOXY)COPPER|Copper quinolate|Bis(8-quinolinolato)copper(II)|copper;quinolin-8-ol|Copper 8-quinolinolate|Copper-8-quinolinolate|Copper-8-hydroxyquinoline|8-Hydroxyquinoline copp

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

Oxine-copper | 10380-28-6 | 13014-03-4 | Copper 8-hydroxyquinolinate | BIS(QUINOLIN-8-YLOXY)COPPER | Copper quinolate | Bis(8-quinolinolato)copper(II) | copper;quinolin-8-ol | Copper 8-quinolinolate | Copper-8-quinolinolate | Copper-8-hydroxyquinoline | 8-Hydroxyquinoline copp

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: C1=CC2=C(C(=C1)O)N=CC=C2.C1=CC2=C(C(=C1)O)N=CC=C2.[Cu]
• IUPAC Name: copper;quinolin-8-ol
• InChIKey: IURRXCRWRKQLGC-UHFFFAOYSA-N
• INCHI: 1S/2C9H7NO.Cu/c2*11-8-5-1-3-7-4-2-6-10-9(7)8;/h2*1-6,11H
• Isómeros SMILES: C1=CC2=C(C(=C1)O)N=CC=C2.C1=CC2=C(C(=C1)O)N=CC=C2.[Cu]
• WGK Alemania: 3
• Peso molecular: 351.85
• Reaxy-Rn: 30148650
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=30148650&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Quinolines and derivatives
      • Subclass 8-hydroxyquinolines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Quinolines and derivatives
• Subclass: 8-hydroxyquinolines
• Intermediate Tree Nodes: Not available
• Direct Parent: 8-hydroxyquinolines
• Alternative Parents: 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Pyridines and derivatives Heteroaromatic compounds Organic transition metal salts Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Not available
• Substituents: 8-hydroxyquinoline - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Pyridine - Benzenoid - Heteroaromatic compound - Organic transition metal salt - Azacycle - Organopnictogen compound - Organic salt - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as 8-hydroxyquinolines. These are compounds containing a quinoline moiety, which carries a hydroxy group at the 8-position. Quinoline consists of a benzene ring fused to a pyrimidine ring to form benzo[b]azabenzene.
• External Descriptors: Not available

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

Propiedades químicas y físicas

• Punto de fusión (°C): 240°C
• Peso molecular: 353.900 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 353.035 Da
• Monoisotopic Mass: 353.035 Da
• Topological Polar Surface Area: 66.200 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 313.000
• 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: 3

XLogP3

Referencias

1. Xiangwu Liu, Ya Yang, Ya Chen, Qingtao Zhang, Ping Lu, Deyu Hu.  (2019)  Dissipation, residues and risk assessment of oxine-copper and pyraclostrobin in citrus.  Food Additives and Contaminants Part A-Chemistry Analysis Control Exposure & Risk Assessment,      [PMID:31361184] [10.1080/19440049.2019.1640894]