5-Quinolinol - CAS 578-67-6

Catalog:	BB029852
Product Name:	5-Quinolinol
CAS:	578-67-6
Synonyms:	quinolin-5-ol

Technical Data

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Computed Properties

IUPAC Name:	quinolin-5-ol
Description:	5-Quinolinol (CAS# 578-67-6) is a compound useful in organic synthesis.
Molecular Weight:	145.16
Molecular Formula:	C9H7NO
Canonical SMILES:	C1=CC2=C(C=CC=N2)C(=C1)O
InChI:	InChI=1S/C9H7NO/c11-9-5-1-4-8-7(9)3-2-6-10-8/h1-6,11H
InChI Key:	GYESAYHWISMZOK-UHFFFAOYSA-N
Boiling Point:	404.9 °C at 760 mmHg
Density:	1.23 g/cm³
Appearance:	Light yellow crystalline solid
MDL:	MFCD00006792
LogP:	1.94040
Vapor Pressure:	0.00033 [mmHg]

Publication Number	Title	Priority Date
CN-113264876-A	Method for selectively catalyzing and hydrogenating aromatic heterocyclic compounds by non-hydrogen participation	20210528
CN-112028823-A	1, 2-substituted quinoline compound and preparation method and application thereof	20200910
CN-111217776-A	Amide derivative containing benzo heterocyclic structure, composition and application	20200119
WO-2021105497-A1	Small-molecule nadph oxidase 2 inhibitors	20191129
WO-2021097110-A1	Therapeutic compounds and methods of use	20191113

PMID	Publication Date	Title	Journal
22947183	20121030	Photocatalytic degradation of quinoline in aqueous TiO2 suspension	Journal of hazardous materials
19963379	20100101	Development of an in silico model for human skin permeation based on a Franz cell skin permeability assay	Bioorganic & medicinal chemistry letters
19443014	20090801	Assessment of azaarenes and azaarones (oxidized azaarene derivatives) in the Dutch coastal zone of the North Sea	Chemosphere
12685510	20021201	Study of in vitro glucuronidation of hydroxyquinolines with bovine liver microsomes	Fundamental & clinical pharmacology

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Related Functional Groups

Quinoline/Isoquinoline

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[91092-92-1]
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[36034-54-5]
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[1535306-28-5]
6-Fluoro-8-iodoquinolin-2(1H)-one
[4965-34-8]
7-Bromo-2-methylquinoline
[1203578-65-7]
7-Bromo-2-phenylquinoline

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	138
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	145.052763847
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	145.052763847
Rotatable Bond Count:	0
Topological Polar Surface Area:	33.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.3