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3-Hydroxyisoquinoline

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Name

3-Hydroxyisoquinoline

EINECS N/A
CAS No. 7651-81-2 Density 1.23 g/cm3
PSA 33.12000 LogP 1.94040
Solubility N/A Melting Point 192-194 °C
Formula C9H7NO Boiling Point 551.9 °C at 760 mmHg
Molecular Weight 145.161 Flash Point 319.4 °C
Transport Information N/A Appearance light yellow or yellow green acicular
Safety 26-37/39 Risk Codes 22-41
Molecular Structure Molecular Structure of 7651-81-2 (3-Hydroxyisoquinoline) Hazard Symbols HarmfulXn,IrritantXi
Synonyms

3(2H)-Isoquinolone(8CI);3-Isoquinolinol (6CI,7CI);3(2H)-Isoquinolinone;

Article Data 11

3-Hydroxyisoquinoline Specification

The 3-Hydroxyisoquinoline, with the CAS registry number 7651-81-2, is also known as 3-Isoquinolinol. It belongs to the product categories of Blocks; Quinolines; API intermediates. This chemical's molecular formula is C9H7NO and molecular weight is 145.16. Its systematic name is called isoquinolin-3(2H)-one. What's more, the product should be sealed and stored in cool and dry place.

Physical properties of 3-Hydroxyisoquinoline: (1)ACD/LogP: 0.06; (2)ACD/LogD (pH 5.5): 0.06; (3)ACD/LogD (pH 7.4): 0.06; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 25.6; (7)ACD/KOC (pH 7.4): 25.6; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)Index of Refraction: 1.642; (11)Molar Refractivity: 42.58 cm3; (12)Molar Volume: 117.8 cm3; (13)Surface Tension: 46.5 dyne/cm; (14)Density: 1.23 g/cm3; (15)Flash Point: 319.4 °C; (16)Enthalpy of Vaporization: 83.23 kJ/mol; (17)Boiling Point: 551.9 °C at 760 mmHg; (18)Vapour Pressure: 3.16E-12 mmHg at 25°C.

Preparation of 3-Hydroxyisoquinoline: this chemical can be prepared by 1-phenyl-1,4-dihydro-2H-isoquinolin-3-one. This reaction will need reagent AlCl3 and solvent 1,2-dichloro-benzene. The reaction time is 240 hours with reaction temperature of 25 °C. The yield is about 62%.

3-Hydroxyisoquinoline can be prepared by 1-phenyl-1,4-dihydro-2H-isoquinolin-3-one

Uses of 3-Hydroxyisoquinoline: it can be used to produce 1,4-dihydro-2H-isoquinolin-3-one at temperature of 90 °C. This reaction will need reagent AlCl3 and solvent cyclohexane with reaction time of 3 hours. The yield is about 67%.

3-Hydroxyisoquinoline can be used to produce 1,4-dihydro-2H-isoquinolin-3-one

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 harmful if swallowed. 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 gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C1/C=C2/C=C\C=C/C2=C/N1
(2)InChI: InChI=1/C9H7NO/c11-9-5-7-3-1-2-4-8(7)6-10-9/h1-6H,(H,10,11)
(3)InChIKey: GYPOFOQUZZUVQL-UHFFFAOYAL

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