4-Chloro-2-methyl-7-(trifluoromethyl)quinoline - CAS 18529-09-4

Catalog:	BB014216
Product Name:	4-Chloro-2-methyl-7-(trifluoromethyl)quinoline
CAS:	18529-09-4
Synonyms:	4-chloro-2-methyl-7-(trifluoromethyl)quinoline

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	4-chloro-2-methyl-7-(trifluoromethyl)quinoline
Description:	4-Chloro-2-methyl-7-(trifluoromethyl)quinoline (CAS# 18529-09-4) is a useful research chemical.
Molecular Weight:	245.63
Molecular Formula:	C11H7ClF3N
Canonical SMILES:	CC1=NC2=C(C=CC(=C2)C(F)(F)F)C(=C1)Cl
InChI:	InChI=1S/C11H7ClF3N/c1-6-4-9(12)8-3-2-7(11(13,14)15)5-10(8)16-6/h2-5H,1H3
InChI Key:	KQXIMYKBHAMAAM-UHFFFAOYSA-N
Boiling Point:	277.2 °C at 760 mmHg
Density:	1.376 g/cm³
MDL:	MFCD00272334
LogP:	4.21540

Publication Number	Title	Priority Date
EP-2621923-A1	N-heteroaryl compounds with cyclic bridging unit for the treatment of parasitic diseases	20100929
EP-2621923-B1	N-heteroaryl compounds with cyclic bridging unit for the treatment of parasitic diseases	20100929
ES-2624845-T3	N-heteroaryl compounds with cyclic bridge unit for the treatment of parasitic diseases	20100929
HU-E034347-T2	N-heteroaryl compounds with cyclic bridging unit for the treatment of parasitic diseases	20100929
US-2013203768-A1	N-heteroaryl compounds with cyclic bridging unit for the treatment of parasitic diseases	20100929

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GHS Hazard Statement:	H301 (90.48%): Toxic if swallowed [Danger Acute toxicity, oral]; H318 (90.48%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
Precautionary Statement:	P264, P264+P265, P270, P280, P301+P316, P305+P354+P338, P317, P321, P330, P405, and P501
Signal Word:	Danger

Complexity:	256
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	245.0219114
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	245.0219114
Rotatable Bond Count:	0
Topological Polar Surface Area:	12.9
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	4.1