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Copper quinolate

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Name

Copper quinolate

EINECS 233-841-9
CAS No. 10380-28-6 Density 1.68 g/cm3
PSA 44.24000 LogP 4.15330
Solubility Insoluble in water Melting Point 240 ºC
Formula C18H12CuN2O2 Boiling Point 267 ºC at 760 mmHg
Molecular Weight 351.851 Flash Point 143.1 ºC
Transport Information N/A Appearance Yellow to greenish powder
Safety 26-36 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 10380-28-6 (Copper quinolate) Hazard Symbols IrritantXi
Synonyms

Copper,bis(8-quinolinolato)- (6CI,8CI);Copper, bis(8-quinolinolato-N1,O8)-;8-Hydroxyquinoline copper salt;8-Hydroxyquinoline copper(2+) salt;Betaxate;Bis(8-hydroxyquinolinato)copper;Bis(8-oxyquinoline)copper;Bis(8-quinolinolato)copper;Copper 8-hydroxyquinolate;Copper8-hydroxyquinolinate;Copper 8-hydroxyquinoline;Copper 8-quinolate;Copper 8-quinolinolate (1:2);CopperClear;Copper bis(8-hydroxyquinolinate);Copperhydroxyquinolate;Copper hydroxyquinolinate;Copperoxyquinolate;Copper quinolinolate;Copper(2+) oxinate;Copper-oxine;Cupric8-quinolinolate;Cuprinol Dispersion AQ;Cuproquin;Oxidong;Oxine-copper;

Article Data 33

Copper quinolate Consensus Reports

IARC Cancer Review: Group 3 IMEMDT    IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man 7 (1987),p. 56.(World Health Organization, Internation Agency for Research on Cancer,Lyon, France.: ) (Single copies can be ordered from WHO Publications Centre U.S.A., 49 Sheridan Avenue, Albany, NY 12210) ; Animal Inadequate Evidence IMEMDT    IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man 15 (1977),p. 103.(World Health Organization, Internation Agency for Research on Cancer,Lyon, France.: ) (Single copies can be ordered from WHO Publications Centre U.S.A., 49 Sheridan Avenue, Albany, NY 12210) . Reported in EPA TSCA Inventory. Copper and its compounds are on the Community Right-To-Know List. EPA FIFRA 1988 pesticide subject to registration or re-registration.

Copper quinolate Specification

The Copper quinolate with CAS registry number of 10380-28-6 is also known as 8-Hydroxyquinoline copper salt. The IUPAC name is Copper quinolin-8-olate. It belongs to product categories of Inorganic & Organic Chemicals; Classes of Metal Compounds; Cu (Copper) Compounds; Electroluminescence; Functional Materials; Quinolinecarboxylic Acids, etc.; Quinolines; Transition Metal Compounds. Its EINECS registry number is 233-841-9. In addition, the formula is C18H12CuN2O2 and the molecular weight is 351.85. This chemical is a yellow to greenish powder that insoluble in water. It may cause inflammation to the skin or other mucous membranes and should be sealed in cool, dry place at the temperature of 0-6 °C. What's more, this chemical is used as antiseptic.

Physical properties about Copper quinolate are: (1)ACD/LogP: 1.87; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.74; (4)ACD/LogD (pH 7.4): 0.79; (5)ACD/BCF (pH 5.5): 1.16; (6)ACD/BCF (pH 7.4): 1.28; (7)ACD/KOC (pH 5.5): 18.51; (8)ACD/KOC (pH 7.4): 20.46; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Flash Point: 143.1 °C; (13)Enthalpy of Vaporization: 52.54 kJ/mol; (14)Boiling Point: 267 °C at 760 mmHg; (15)Vapour Pressure: 0.00508 mmHg at 25 °C.

When you are using this chemical, please be cautious about it. As a chemical, it is irritating to eyes, respiratory system and skin. During using it, wear suitable protective clothing. If contact with eyes accidently, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
1. Canonical SMILES: C1=CC2=C(C(=C1)[O-])N=CC=C2.C1=CC2=C(C(=C1)[O-])N=CC=C2.[Cu+2]
2. InChI: InChI=1S/2C9H7NO.Cu/c2*11-8-5-1-3-7-4-2-6-10-9(7)8;/h2*1-6,11H;/q;;+2/p-2
3. InChIKey: YXLXNENXOJSQEI-UHFFFAOYSA-L

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 67mg/kg (67mg/kg) PERIPHERAL NERVE AND SENSATION: FLACCID PARALYSIS WITHOUT ANESTHESIA (USUALLY NEUROMUSCULAR BLOCKAGE)

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

LUNGS, THORAX, OR RESPIRATION: DYSPNEA
Toxicology and Applied Pharmacology. Vol. 5, Pg. 599, 1963.
mouse LD50 oral 3940mg/kg (3940mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

LUNGS, THORAX, OR RESPIRATION: DYSPNEA

GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA"
Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 51(1), Pg. 85, 1986.
rabbit LD50 skin > 2gm/kg (2000mg/kg)   Nippon Noyaku Gakkaishi. Journal of the Pesticide Science Society of Japan. Vol. 16, Pg. 563, 1991.
rat LC50 inhalation 820mg/m3 (820mg/m3)   Nippon Noyaku Gakkaishi. Journal of the Pesticide Science Society of Japan. Vol. 16, Pg. 563, 1991.
rat LD50 intraperitoneal 22mg/kg (22mg/kg)   Nippon Noyaku Gakkaishi. Journal of the Pesticide Science Society of Japan. Vol. 16, Pg. 563, 1991.
rat LD50 oral 9930mg/kg (9930mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

LUNGS, THORAX, OR RESPIRATION: DYSPNEA

GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA"
Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 51(1), Pg. 85, 1986.

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