4,6-Dichloroquinoline - CAS 4203-18-3

Catalog:	BB025018
Product Name:	4,6-Dichloroquinoline
CAS:	4203-18-3
Synonyms:	4,6-dichloroquinoline

Technical Data

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Computed Properties

IUPAC Name:	4,6-dichloroquinoline
Description:	4,6-Dichloroquinoline (CAS# 4203-18-3) is a useful research chemical.
Molecular Weight:	198.05
Molecular Formula:	C9H5Cl2N
Canonical SMILES:	C1=CC2=NC=CC(=C2C=C1Cl)Cl
InChI:	InChI=1S/C9H5Cl2N/c10-6-1-2-9-7(5-6)8(11)3-4-12-9/h1-5H
InChI Key:	JZGUMSTXLPEMFW-UHFFFAOYSA-N
Boiling Point:	282 °C at 760 mmHg
Density:	1.407 g/cm³
Appearance:	Solid
MDL:	MFCD00156141
LogP:	3.54160

Publication Number	Title	Priority Date
US-2021317134-A1	Ubiquitin-specific-processing protease 7 (usp7) modulators and uses thereof	20190307
US-2020062728-A1	Quinoline-based compounds and methods of inhibiting cdk8/19	20180821
US-11014906-B2	Quinoline-based compounds and methods of inhibiting CDK8/19	20180821
US-2021276956-A1	Quinoline-based compounds and methods of inhibiting cdk8/19	20180821
EP-3496715-A1	Compounds useful for altering the levels of bile acids for the treatment of diabetes and cardiometabolic disease	20160815

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Related Functional Groups

Quinoline/Isoquinoline

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[1203578-65-7]
7-Bromo-2-phenylquinoline
[4038-97-5]
7-Methoxy-4-(piperazin-1-yl)quinoline
[7651-83-4]
7-Isoquinolinol

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GHS Hazard Statement:	H301 (88.37%): Toxic if swallowed [Danger Acute toxicity, oral]
Precautionary Statement:	P264, P270, P280, P301+P310, P302+P352, P305+P351+P338, P310, P321, P330, P332+P313, P337+P313, P362, P405, and P501
Signal Word:	Danger

Complexity:	163
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	196.9799046
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	196.9799046
Rotatable Bond Count:	0
Topological Polar Surface Area:	12.9 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.6