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4-Chloro-2-trichloromethyl-8-trifluoromethyl-quinoline

4-Chloro-2-trichloromethyl-8-trifluoromethyl-quinoline - CAS 91991-76-3

Catalog:	BB040403
Product Name:	4-Chloro-2-trichloromethyl-8-trifluoromethyl-quinoline
CAS:	91991-76-3
Synonyms:	4-chloro-2-(trichloromethyl)-8-(trifluoromethyl)quinoline

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	4-chloro-2-(trichloromethyl)-8-(trifluoromethyl)quinoline
Description:	4-Chloro-2-trichloromethyl-8-trifluoromethyl-quinoline (CAS# 91991-76-3) is a useful research chemical.
Molecular Weight:	348.96
Molecular Formula:	C11H4Cl4F3N
Canonical SMILES:	C1=CC2=C(C(=C1)C(F)(F)F)N=C(C=C2Cl)C(Cl)(Cl)Cl
InChI:	InChI=1S/C11H4Cl4F3N/c12-7-4-8(10(13,14)15)19-9-5(7)2-1-3-6(9)11(16,17)18/h1-4H
InChI Key:	LJQTYYBJSXXNTO-UHFFFAOYSA-N
Boiling Point:	341.8 °C at 760 mmHg
Density:	1.634 g/cm³
LogP:	5.73370

Publication Number	Title	Priority Date
EP-0111329-B1	Fluoromethyl quinoline derivatives and their preparation	19821211
HU-188235-B	Process for producing fluoro-methyl-quinoline derivatives	19821211
SU-1299507-A3	Method for producing derivatives of fluormethylquinoline	19821211
US-4659834-A	Process for the preparation of fluoromethyl-quinoline derivatives	19821211
EP-0113432-A1	Chloromethyl quinoline derivatives, process for their preparation and their use	19821202

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GHS Hazard Statement:	H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
Precautionary Statement:	P264, P270, P301+P316, P321, P330, P405, and P501
Signal Word:	Danger

Complexity:	331
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	348.902044
Formal Charge:	0
Heavy Atom Count:	19
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	346.904994
Rotatable Bond Count:	0
Topological Polar Surface Area:	12.9
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	5.4