2-Chloro-6-fluoro-3-methylquinoline - CAS 131610-11-2

Catalog:	BB007455
Product Name:	2-Chloro-6-fluoro-3-methylquinoline
CAS:	131610-11-2
Synonyms:	2-chloro-6-fluoro-3-methylquinoline

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	2-chloro-6-fluoro-3-methylquinoline
Description:	2-Chloro-6-fluoro-3-methylquinoline (CAS# 131610-11-2) is a useful research chemical.
Molecular Weight:	195.62
Molecular Formula:	C10H7ClFN
Canonical SMILES:	CC1=C(N=C2C=CC(=CC2=C1)F)Cl
InChI:	InChI=1S/C10H7ClFN/c1-6-4-7-5-8(12)2-3-9(7)13-10(6)11/h2-5H,1H3
InChI Key:	KPVOTWBHWHCHSB-UHFFFAOYSA-N
Boiling Point:	290.5 °C at 760 mmHg
Purity:	95 %
Density:	1.311 g/cm³
Storage:	Sealed in dry, 2-8 °C
LogP:	3.33570

Publication Number	Title	Priority Date
JP-2014122161-A	Pyrazole compounds	20110331
TW-201302730-A	Pyrazole compound	20110331
WO-2012133607-A1	Pyrazole compound	20110331
EP-0385662-A2	Heterocycles with inhibitory activity of 5-lipoxygenase	19890228
FI-96512-B	An analogous method for the preparation of therapeutically useful heterocyclic compounds	19890228

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GHS Hazard Statement:	H302 (97.44%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P280, P301+P312, P305+P351+P338, P310, P330, and P501
Signal Word:	Danger

Complexity:	188
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	195.0251051
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	195.0251051
Rotatable Bond Count:	0
Topological Polar Surface Area:	12.9 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.6