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2-Quinolinecarbonitrile,8-hydroxy-

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Name

2-Quinolinecarbonitrile,8-hydroxy-

EINECS N/A
CAS No. 6759-78-0 Density 1.36 g/cm3
PSA 56.91000 LogP 1.81208
Solubility N/A Melting Point 133-136 °C
Formula C10H6N2O Boiling Point 402.7 °C at 760 mmHg
Molecular Weight 170.17 Flash Point 197.3 °C
Transport Information UN3439 Appearance yellow to brown crystalline powder
Safety 26-36 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 6759-78-0 (8-HYDROXYQUINOLINE-2-CARBONITRILE) Hazard Symbols IrritantXi
Synonyms

Quinaldonitrile,8-hydroxy- (7CI,8CI);2-Cyano-8-hydroxyquinoline;2-Cyanoquinolin-8-ol;8-Hydroxy-2-quinolinecarbonitrile;

 

2-Quinolinecarbonitrile,8-hydroxy- Specification

The 2-Quinolinecarbonitrile,8-hydroxy-, with the CAS registry number 6759-78-0, is also known as 8-Hydroxyquinaldonitrile. It belongs to the product category of Quinolines, Quinazolines and Derivatives. This chemical's molecular formula is C10H6N2O and molecular weight is 170.16744. Its IUPAC name is called 8-hydroxyquinoline-2-carbonitrile. This chemical is yellow to brown crystalline powder.

Physical properties of 2-Quinolinecarbonitrile,8-hydroxy-: (1)ACD/LogP: 1.39; (2)ACD/LogD (pH 5.5): 1.35; (3)ACD/LogD (pH 7.4): 1.32; (4)ACD/BCF (pH 5.5): 6.18; (5)ACD/BCF (pH 7.4): 5.66; (6)ACD/KOC (pH 5.5): 125.47; (7)ACD/KOC (pH 7.4): 114.87; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Index of Refraction: 1.702; (12)Molar Refractivity: 48.2 cm3; (13)Molar Volume: 124.4 cm3; (14)Surface Tension: 77.1 dyne/cm; (15)Density: 1.36 g/cm3; (16)Flash Point: 197.3 °C; (17)Enthalpy of Vaporization: 67.94 kJ/mol; (18)Boiling Point: 402.7 °C at 760 mmHg; (19)Vapour Pressure: 4.62E-07 mmHg at 25°C.

Uses of 2-Quinolinecarbonitrile,8-hydroxy-: it can be used to produce 8-hydroxy-quinoline-2-carboxylic acid by heating. This reaction will need reagent NaOH and solvent H2O with reaction time of 4 hours. The yield is about 70%.

When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC2=C(C(=C1)O)N=C(C=C2)C#N
(2)InChI: InChI=1S/C10H6N2O/c11-6-8-5-4-7-2-1-3-9(13)10(7)12-8/h1-5,13H
(3)InChIKey: KUQKKIBQVSFDHX-UHFFFAOYSA-N

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