4-Hydroxy-2-methyl-8-trifluoromethylquinoline - CAS 140908-88-9

Catalog:	BB009142
Product Name:	4-Hydroxy-2-methyl-8-trifluoromethylquinoline
CAS:	140908-88-9
Synonyms:	2-methyl-8-(trifluoromethyl)-1H-quinolin-4-one

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	2-methyl-8-(trifluoromethyl)-1H-quinolin-4-one
Description:	4-Hydroxy-2-methyl-8-trifluoromethylquinoline (CAS# 140908-88-9) is a useful research chemical.
Molecular Weight:	227.18
Molecular Formula:	C11H8F3NO
Canonical SMILES:	CC1=CC(=O)C2=C(N1)C(=CC=C2)C(F)(F)F
InChI:	InChI=1S/C11H8F3NO/c1-6-5-9(16)7-3-2-4-8(10(7)15-6)11(12,13)14/h2-5H,1H3,(H,15,16)
InChI Key:	OTMHQQLVOKHQTM-UHFFFAOYSA-N
Boiling Point:	281.2 °C at 760 mmHg
Density:	1.308 g/cm³
LogP:	3.26760

Publication Number	Title	Priority Date
HU-205906-B	Process for producing 4-chloro-quinoline derivatives	19900604
EP-0113432-A1	Chloromethyl quinoline derivatives, process for their preparation and their use	19821202
EP-0113432-B1	Chloromethyl quinoline derivatives, process for their preparation and their use	19821202
HU-191508-B	Process for preparing new chloromethyl-quinoline derivatives	19821202

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GHS Hazard Statement:	H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]; H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
Precautionary Statement:	P264, P264+P265, P270, P280, P301+P316, P305+P354+P338, P317, P321, P330, P405, and P501
Signal Word:	Danger

Complexity:	335
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	227.05579836
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	227.05579836
Rotatable Bond Count:	0
Topological Polar Surface Area:	29.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.8