4,6-Dichloro-2-methylquinoline - CAS 53342-53-3

Catalog:	BB028161
Product Name:	4,6-Dichloro-2-methylquinoline
CAS:	53342-53-3
Synonyms:	4,6-dichloro-2-methylquinoline

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	4,6-dichloro-2-methylquinoline
Description:	4,6-Dichloro-2-methylquinoline (CAS# 53342-53-3) is a useful research chemical.
Molecular Weight:	212.08
Molecular Formula:	C10H7Cl2N
Canonical SMILES:	CC1=NC2=C(C=C(C=C2)Cl)C(=C1)Cl
InChI:	InChI=1S/C10H7Cl2N/c1-6-4-9(12)8-5-7(11)2-3-10(8)13-6/h2-5H,1H3
InChI Key:	KYBCQZHRJZJYCE-UHFFFAOYSA-N
Boiling Point:	291.4 °C at 760 mmHg
Purity:	95 %
Density:	1.351 g/cm³
Appearance:	Off-white powder
LogP:	3.85000

Publication Number	Title	Priority Date
WO-2020206252-A1	Antimalarial compounds	20190403
WO-2013102936-A1	N-(3-((diethylamino) methyl)-4-hydroxyphenyl)-n-(quinolin-4-yl) sulfonamides for the treatment of tuberculosis and process of preparation thereof	20120103
US-2009023773-A1	Compositions and methods for modulating gated ion channels	20070627
WO-2009000085-A1	Quinoline and quinazoline derivatives useful as modulators of gated ion channels	20070627
AU-2008252636-A1	Use of 4-(pyrrolidin-1-yl)quinoline compounds to kill clinically latent microorganisms	20070517

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Related Functional Groups

Quinoline/Isoquinoline

[948291-36-9]
2,5-Dichloro-8-methylquinoline-3-carboxaldehyde
[203506-30-3]
2-Amino-6-methoxy-3-methylquinoline
[938459-19-9]
2-Chloro-4-methyl-7-(methylthio)quinoline
[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
[30740-95-5]
6,7-Dimethoxy-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic acid hydrochloride

GHS Hazard Statement:	H301 (97.44%): Toxic if swallowed [Danger Acute toxicity, oral]
Precautionary Statement:	P264, P270, P273, P280, P301+P310, P305+P351+P338, P310, P321, P330, P405, and P501
Signal Word:	Danger

Complexity:	186
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	210.9955546
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	210.9955546
Rotatable Bond Count:	0
Topological Polar Surface Area:	12.9 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.8