4-Hydroxy-8-(trifluoromethyl)quinoline - CAS 23779-96-6

Catalog:	BB018179
Product Name:	4-Hydroxy-8-(trifluoromethyl)quinoline
CAS:	23779-96-6
Synonyms:	8-(trifluoromethyl)-1H-quinolin-4-one

Technical Data

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Computed Properties

IUPAC Name:	8-(trifluoromethyl)-1H-quinolin-4-one
Description:	4-Hydroxy-8-(trifluoromethyl)quinoline (CAS# 23779-96-6) is a useful research chemical.
Molecular Weight:	213.16
Molecular Formula:	C10H6F3NO
Canonical SMILES:	C1=CC2=C(C(=C1)C(F)(F)F)NC=CC2=O
InChI:	InChI=1S/C10H6F3NO/c11-10(12,13)7-3-1-2-6-8(15)4-5-14-9(6)7/h1-5H,(H,14,15)
InChI Key:	UDRWADJLLWWJOE-UHFFFAOYSA-N
Boiling Point:	269.6 °C at 760 mmHg
Melting Point:	174-176 °C
Purity:	97 %
Density:	1.369 g/cm³
MDL:	MFCD00134577
LogP:	2.95920

Publication Number	Title	Priority Date
US-2021147386-A1	Pyrrolidine and piperidine compounds	20191106
WO-2021090245-A1	Pyrrolidine and piperidine compounds	20191106
US-10401747-B1	Undercoat layer for imaging device	20180926
US-2021171883-A1	Antiviral wiper	20180829
AU-2018375308-A1	Pyranopyrazole and pyrazolopyridine immunomodulators for treatment of autoimmune diseases	20171129

PMID	Publication Date	Title	Journal
21907466	20111101	Design, synthesis and docking studies of new quinoline-3-carbohydrazide derivatives as antitubercular agents	European journal of medicinal chemistry
15962942	20050601	Prediction of genotoxicity of chemical compounds by statistical learning methods	Chemical research in toxicology

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Related Functional Groups

Quinoline/Isoquinoline

[1031928-21-8]
2-Chloro-7,8-dimethyl-3-phenylquinoline
[4038-97-5]
7-Methoxy-4-(piperazin-1-yl)quinoline
[50741-46-3]
Ethyl 3-quinolinecarboxylate
[142425-92-1]
ethyl 4-aminoquinoline-2-carboxylate
[179943-57-8]
Ethyl 7-Bromo-4-hydroxy-3-quinolinecarboxylate
[119-65-3]
Isoquinoline

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:	298
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	213.04014830
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	213.04014830
Rotatable Bond Count:	0
Topological Polar Surface Area:	29.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.4