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3-Hydroxyquinoline

3-Hydroxyquinoline structure

CAS No:
580-18-7
Formula:
C9H7NO
Chemical Name:
3-Hydroxyquinoline
Synonyms:
3-Quinolinol;3-Hydroxyquinoline;3-Quinolol;36834-50-1
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

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Description

Beige crystalline powder

3-Hydroxyquinoline Basic Attributes

Molecular Weight：

145.16

Exact Mass：

145.16

EC Number：

209-456-7

UNII：

12PZ582CI0

DSSTox ID：

DTXSID00206727

HScode：

2933499090

Characteristics

PSA：

33.1

XLogP3：

2.1

Appearance：

Beige Crystalline Powder

Density：

1.3±0.1 g/cm3

Melting Point：

198 °C

Flash Point：

143.1±20.4 °C

Refractive Index：

1.691

Water Solubility：

587.9mg/L(20 ºC)

Safety Information

hazard class code：

RTECS Number：

VC4050000

Marks：

Precautionary statement(s)：

P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, P362

Hazard Statements：

H315

GHS Classification：

|Warning|H302 (75%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 4 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

Metabolism/Metabolites：

3OHQ is a known human metabolite of quinoline.

3-Hydroxyquinoline Use and Manufacturing

General procedure: A flask was charged with 3, 4-dimethoxyphenylboronic acid (1.0 mmol), CuSO4*H2O (0.02 g, 0.1 mmol), CNT-Chit film (10.0 mg), KOH (0.17 g, 3.0mmol), and H2O (5.00 mL). Then, the flask was stirred at room temperature in open air for 24 hours. At the end of the reaction, the reaction mixture was filtered and washed with water. Then, the filtrate was acidified with dilute aqueous HCl and extracted with diethyl ether (3 10 mL). The organic phases were combined, and the volatile components were evaporated under reduced pressure. Purification by flash column chromatography on silica gel (70percenthexanes/ 30percent ethyl acetate) afforded 0.1433 g of 3, 4-dimethoxyphenol (2f) in 93percent isolated yield as an off-white solid3-Bromoquinoline (5.0 g, 24.03 mmoL) was dissolved in anhydrous ether and cooled to 780° C.

Computed Properties

Molecular Weight:145.16
XLogP3:2.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Exact Mass:145.052763847
Monoisotopic Mass:145.052763847
Topological Polar Surface Area:33.1
Heavy Atom Count:11
Complexity:138
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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3-Hydroxyquinoline

CAS No.: 580-18-7

Content: 99.00%

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