6-Bromo-2-chloroquinoline - CAS 1810-71-5

Catalog:	BB013786
Product Name:	6-Bromo-2-chloroquinoline
CAS:	1810-71-5
Synonyms:	6-bromo-2-chloroquinoline; 6-bromo-2-chloroquinoline

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Computed Properties

IUPAC Name:	6-bromo-2-chloroquinoline
Description:	6-Bromo-2-chloroquinoline (CAS# 1810-71-5) is a compound useful in organic synthesis.
Molecular Weight:	242.50
Molecular Formula:	C9H5BrClN
Canonical SMILES:	C1=CC2=C(C=CC(=N2)Cl)C=C1Br
InChI:	InChI=1S/C9H5BrClN/c10-7-2-3-8-6(5-7)1-4-9(11)12-8/h1-5H
InChI Key:	YXRDWUJAJLDABJ-UHFFFAOYSA-N
Boiling Point:	325.7 °C at 760 mmHg
Density:	1.673 g/cm³
MDL:	MFCD04115272
LogP:	3.65070

Publication Number	Title	Priority Date
WO-2021130732-A1	Antibacterial quinolines	20191227
US-2021147386-A1	Pyrrolidine and piperidine compounds	20191106
WO-2021090245-A1	Pyrrolidine and piperidine compounds	20191106
WO-2021013910-A1	Picolinamide derivatives useful as agricultural fungicides	20190724
CN-111978292-A	Compound, application thereof and organic electroluminescent device comprising compound	20190524

PMID	Publication Date	Title	Journal
18950225	20081121	Sequential and selective Buchwald-Hartwig amination reactions for the controlled functionalization of 6-bromo-2-chloroquinoline: synthesis of ligands for the Tec Src homology 3 domain	The Journal of organic chemistry

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	165
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	240.92939
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	240.92939
Rotatable Bond Count:	0
Topological Polar Surface Area:	12.9 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.4