8-Chloro-2-hydroxyquinoline - CAS 23981-25-1

Catalog:	BB018274
Product Name:	8-Chloro-2-hydroxyquinoline
CAS:	23981-25-1
Synonyms:	8-chloro-1H-quinolin-2-one

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Computed Properties

IUPAC Name:	8-chloro-1H-quinolin-2-one
Description:	8-Chloro-2-hydroxyquinoline (CAS# 23981-25-1) is a useful research chemical.
Molecular Weight:	179.60
Molecular Formula:	C9H6ClNO
Canonical SMILES:	C1=CC2=C(C(=C1)Cl)NC(=O)C=C2
InChI:	InChI=1S/C9H6ClNO/c10-7-3-1-2-6-4-5-8(12)11-9(6)7/h1-5H,(H,11,12)
InChI Key:	JNXUGJMCFLONJN-UHFFFAOYSA-N
Appearance:	White to off-white powder or crystals
MDL:	MFCD03427166
LogP:	2.59380

Publication Number	Title	Priority Date
WO-2021116712-A1	Functionalised microbubble mediated cell tagging	20191213
TW-202021955-A	Regioselective one-step process for synthesizing 2-hydroxyquinoxaline	20180802
TW-I716060-B	Regioselective one-step process for synthesizing 2-hydroxyquinoxaline	20180802
WO-2019243419-A1	Brachygel for treatment of cancer and/or for guidance of surgery	20180619
CN-110944991-A	Heterocyclic compound and organic light emitting device including the same	20180109

PMID	Publication Date	Title	Journal
15738624	20050301	[New findings on the structure-phototoxicity relationship and photostability of fluoroquinolones]	Yakugaku zasshi : Journal of the Pharmaceutical Society of Japan
12723953	20030508	A novel antibacterial 8-chloroquinolone with a distorted orientation of the N1-(5-amino-2,4-difluorophenyl) group	Journal of medicinal chemistry

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Related Functional Groups

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[927800-47-3]
4-Chloro-6-fluoro-2-trichloromethyl-quinoline
[13676-02-3]
2-Chloro-6-methoxyquinoline
[36034-54-5]
4-Methoxyisoquinoline

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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:	227
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	179.0137915
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	179.0137915
Rotatable Bond Count:	0
Topological Polar Surface Area:	29.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2