2-Chloro-7-fluoro-3-methylquinoline - CAS 132118-48-0

Catalog:	BB007545
Product Name:	2-Chloro-7-fluoro-3-methylquinoline
CAS:	132118-48-0
Synonyms:	2-chloro-7-fluoro-3-methylquinoline

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	2-chloro-7-fluoro-3-methylquinoline
Description:	2-Chloro-7-fluoro-3-methylquinoline (CAS# 132118-48-0) is a useful research chemical.
Molecular Weight:	195.62
Molecular Formula:	C10H7ClFN
Canonical SMILES:	CC1=C(N=C2C=C(C=CC2=C1)F)Cl
InChI:	InChI=1S/C10H7ClFN/c1-6-4-7-2-3-8(12)5-9(7)13-10(6)11/h2-5H,1H3
InChI Key:	MCJRQLTWWCMBJE-UHFFFAOYSA-N
Boiling Point:	290.5 °C at 760 mmHg
Purity:	95 %
Density:	1.311 g/cm³
LogP:	3.33570

Publication Number	Title	Priority Date
WO-2012133607-A1	Pyrazole compound	20110331
AU-2010265932-A1	Heterocyclic compounds and their uses	20090625
AU-2010265932-B2	Heterocyclic compounds and their uses	20090625

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
Precautionary Statement:	P264, P264+P265, P270, P280, P301+P317, P305+P354+P338, P317, 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
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.6