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4-Chloro-2-trichloromethyl-6-trifluoromethylquinoline

4-Chloro-2-trichloromethyl-6-trifluoromethylquinoline - CAS 91991-82-1

Catalog:	BB040405
Product Name:	4-Chloro-2-trichloromethyl-6-trifluoromethylquinoline
CAS:	91991-82-1
Synonyms:	4-chloro-2-(trichloromethyl)-6-(trifluoromethyl)quinoline

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	4-chloro-2-(trichloromethyl)-6-(trifluoromethyl)quinoline
Description:	4-Chloro-2-trichloromethyl-6-trifluoromethylquinoline (CAS# 91991-82-1 ) is a useful research chemical.
Molecular Weight:	348.96
Molecular Formula:	C11H4Cl4F3N
Canonical SMILES:	C1=CC2=C(C=C1C(F)(F)F)C(=CC(=N2)C(Cl)(Cl)Cl)Cl
InChI:	InChI=1S/C11H4Cl4F3N/c12-7-4-9(10(13,14)15)19-8-2-1-5(3-6(7)8)11(16,17)18/h1-4H
InChI Key:	PWFMSBSBMGUFFI-UHFFFAOYSA-N
Boiling Point:	341.8 °C at 760 mmHg
Purity:	97 %
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
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
EP-0113432-B1	Chloromethyl quinoline derivatives, process for their preparation and their use	19821202

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Quinoline/Isoquinoline

[1936054-65-7]
2,4-Dichloro-3,6-dimethylquinoline
[948291-36-9]
2,5-Dichloro-8-methylquinoline-3-carboxaldehyde
[938459-19-9]
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[361982-79-8]
2-Chloro-4-methyl-7,8-dihydro-6H-cyclopenta[g]quinoline
[91092-92-1]
3-Carbomethoxy-1,2,3,4-tetrahydroisoquinoline-1,4-dione
[938001-63-9]
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GHS Hazard Statement:	H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H413 (100%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement:	P264, P264+P265, P270, P273, P280, P301+P316, P305+P351+P338, P321, P330, P337+P317, 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