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16862-11-6

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Basic Information
CAS No.: 16862-11-6
Name: 8-HYDROXYQUINOLINE HYDROCHLORIDE
Article Data: 4
Molecular Structure:
Molecular Structure of 16862-11-6 (8-HYDROXYQUINOLINE HYDROCHLORIDE)
Formula: C9H8ClNO
Molecular Weight: 181.622
Synonyms: 8-Quinolinol,hydrochloride (8CI,9CI);8-Hydroxyquinoline hydrochloride;Oxine hydrochloride;Quinolin-8-ol hydrochloride (1:1);Quinolin-8-ol HCl;
EINECS: 240-884-7
Melting Point: 179-184 °C
Boiling Point: 267 °C at 760 mmHg
Flash Point: 143.1 °C
Appearance: Yellow crystal powder
PSA: 33.12000
LogP: 2.74240
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Specification

The 8-Quinolinol,hydrochloride (1:1), with the CAS registry number 16862-11-6, is also known as 8-Hydroxyquinoline hydrochloride. This chemical's molecular formula is C9H8ClNO and molecular weight is 181.62. What's more, its systematic name is Quinolin-8-ol hydrochloride (1:1) and its EINECS number is 240-884-7.

Physical properties of 8-Quinolinol,hydrochloride (1:1) 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)Polar Surface Area: 22.12 Å2; (13)Flash Point: 143.1 °C; (14)Enthalpy of Vaporization: 52.54 kJ/mol; (15)Boiling Point: 267 °C at 760 mmHg; (16)Vapour Pressure: 0.00508 mmHg at 25°C.

Uses of 8-Quinolinol,hydrochloride: it can be used to produce methyl-carbamic acid-[8]quinolyl ester at the temperature of 60 °C. It will need reagent POCl3 with the reaction time of 10 hours. The yield is about 30%.

8-Quinolinol,hydrochloride can be used to produce methyl-carbamic acid-[8]quinolyl ester at the temperature of 60 °C

You can still convert the following datas into molecular structure:
(1)SMILES: Cl.Oc1cccc2cccnc12
(2)InChI: InChI=1S/C9H7NO.ClH/c11-8-5-1-3-7-4-2-6-10-9(7)8;/h1-6,11H;1H
(3)InChIKey: GXBJNMSTHMBPPE-UHFFFAOYSA-N