Basic information
- Name:
3-Hydroxyisoquinoline
- CAS No.:
7651-81-2
- Molecular Structure:
- Formula:
- C9H7NO
- Molecular Weight:
- 145.16
- Synonyms:
- 3(2H)-Isoquinolone(8CI);3-Isoquinolinol (6CI,7CI);3(2H)-Isoquinolinone;
- Density:
- 1.23 g/cm3
- Melting Point:
- 192-194 °C
- Boiling Point:
- 551.9 °C at 760 mmHg
- Flash Point:
- 319.4 °C
- Hazard Symbols:
Xn,
Xi- Risk Codes:
- 22-41
- Safety Description:
- 26-37/39 Details
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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%.
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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%.
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
