4-Chloro-6-fluoro-2-(trifluoromethyl)quinoline - CAS 59611-55-1

Catalog:	BB030434
Product Name:	4-Chloro-6-fluoro-2-(trifluoromethyl)quinoline
CAS:	59611-55-1
Synonyms:	4-chloro-6-fluoro-2-(trifluoromethyl)quinoline; 4-chloro-6-fluoro-2-(trifluoromethyl)quinoline

Technical Data

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Computed Properties

IUPAC Name:	4-chloro-6-fluoro-2-(trifluoromethyl)quinoline
Description:	4-Chloro-6-fluoro-2-(trifluoromethyl)quinoline (CAS# 59611-55-1) is a useful research chemical.
Molecular Weight:	249.59
Molecular Formula:	C10H4ClF4N
Canonical SMILES:	C1=CC2=C(C=C1F)C(=CC(=N2)C(F)(F)F)Cl
InChI:	InChI=1S/C10H4ClF4N/c11-7-4-9(10(13,14)15)16-8-2-1-5(12)3-6(7)8/h1-4H
InChI Key:	BLIVSENQFPJREV-UHFFFAOYSA-N
Boiling Point:	240.5 °C at 760 mmHg
Density:	1.499 g/cm³
MDL:	MFCD00276579
LogP:	4.04610

Publication Number	Title	Priority Date
CA-2507458-A1	Substituted amino phenylacetic acids, derivatives thereof, their preparation and their use as cyclooxygenase 2 (cox-2) inhibitors	20021126
CN-1729157-A	Substituted amino phenylacetic acids, derivatives thereof, their preparation and their use as cyclooxygenase 2 (COX-2) inhibitors	20021126
EP-1567477-A1	Substituted amino phenylacetic acids, derivatives thereof, their preparation and their use as cyclooxygenase 2 (cox-2) inhibitors	20021126
EP-1567477-B1	Substituted amino phenylacetic acids, derivatives thereof, their preparation and their use as cyclooxygenase 2 (cox-2) inhibitors	20021126
EP-2090566-A2	Certain phenylacetic acids and derivatives	20021126

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Related Functional Groups

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[91092-92-1]
3-Carbomethoxy-1,2,3,4-tetrahydroisoquinoline-1,4-dione
[892874-65-6]
2,7-Dimethylquinoline-3-carboxylic acid ethyl ester
[1203578-65-7]
7-Bromo-2-phenylquinoline

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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:	258
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	248.9968395
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	248.9968395
Rotatable Bond Count:	0
Topological Polar Surface Area:	12.9 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.8