2-Hydroxy-4-(trifluoromethyl)quinoline - CAS 25199-84-2

Catalog:	BB018798
Product Name:	2-Hydroxy-4-(trifluoromethyl)quinoline
CAS:	25199-84-2
Synonyms:	4-(trifluoromethyl)-1H-quinolin-2-one; 4-(trifluoromethyl)-1H-quinolin-2-one

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	4-(trifluoromethyl)-1H-quinolin-2-one
Description:	2-Hydroxy-4-(trifluoromethyl)quinoline (CAS# 25199-84-2) is a useful research chemical.
Molecular Weight:	213.16
Molecular Formula:	C10H6F3NO
Canonical SMILES:	C1=CC=C2C(=C1)C(=CC(=O)N2)C(F)(F)F
InChI:	InChI=1S/C10H6F3NO/c11-10(12,13)7-5-9(15)14-8-4-2-1-3-6(7)8/h1-5H,(H,14,15)
InChI Key:	UUROBWTVZZNDFD-UHFFFAOYSA-N
Boiling Point:	284 °C
Density:	1.391 g/cm³
MDL:	MFCD03407380
LogP:	2.95920

Publication Number	Title	Priority Date
US-2020163953-A1	Compounds for Inhibition of Alpha 4 Beta 7 Integrin	20181030
WO-2020092401-A1	COMPOUNDS FOR INHIBITION OF ALPHA 4Î²7 INTEGRIN	20181030
TW-202033491-A	Compounds for inhibition of Î±4Î²7 integrin	20181030
CN-112969504-A	Compounds for inhibiting alpha 4 beta 7 integrins	20181030
EP-3873605-A1	Compounds for inhibition of alpha4beta7 integrin	20181030

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Related Functional Groups

Quinoline/Isoquinoline

[938001-63-9]
9-Chloro-1-methyl-5,6,7,8-tetrahydro-1H-pyrazolo[4,3-b]quinoline
[77156-78-6]
4-Hydroxy-6-methoxyquinoline-3-carboxylic acid ethyl ester
[312713-96-5]
7-Chloro-6-methyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylic acid
[4038-97-5]
7-Methoxy-4-(piperazin-1-yl)quinoline
[27356-52-1]
2-Ethyl-3-methylquinoline
[179943-57-8]
Ethyl 7-Bromo-4-hydroxy-3-quinolinecarboxylate

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	308
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	213.0401483
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	213.0401483
Rotatable Bond Count:	0
Topological Polar Surface Area:	29.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.8