6-Bromo-2-chloro-3-chloromethylquinoline - CAS 948290-77-5

Catalog:	BB041524
Product Name:	6-Bromo-2-chloro-3-chloromethylquinoline
CAS:	948290-77-5
Synonyms:	6-bromo-2-chloro-3-(chloromethyl)quinoline

Technical Data

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Computed Properties

IUPAC Name:	6-bromo-2-chloro-3-(chloromethyl)quinoline
Description:	6-Bromo-2-chloro-3-chloromethylquinoline (CAS# 948290-77-5) is a useful research chemical.
Molecular Weight:	290.97
Molecular Formula:	C10H6BrCl2N
Canonical SMILES:	C1=CC2=NC(=C(C=C2C=C1Br)CCl)Cl
InChI:	InChI=1S/C10H6BrCl2N/c11-8-1-2-9-6(4-8)3-7(5-12)10(13)14-9/h1-4H,5H2
InChI Key:	ICFHBEBSACQCJB-UHFFFAOYSA-N
Boiling Point:	384.9 °C at 760 mmHg
Density:	1.685 g/cm³
LogP:	4.38950

Publication Number	Title	Priority Date
EP-2504330-A1	Amino heteroaryl compounds as beta-secretase modulators and methods of use	20091123
US-2013018064-A1	Amino Heteroaryl Compounds as Beta-Secretase Modulators and Methods of Use	20091123
US-8822485-B2	Amino heteroaryl compounds as beta-secretase modulators and methods of use	20091123
WO-2011063272-A1	Amino heteroaryl compounds as beta-secretase modulators and methods of use	20091123

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[7651-83-4]
7-Isoquinolinol
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ethyl 4-aminoquinoline-2-carboxylate
[391-02-6]
Ethyl 4-hydroxy-7-trifluoromethyl-3-quinolinecarboxylate

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GHS Hazard Statement:	H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]; H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]; H413 (100%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement:	P264, P264+P265, P270, P273, P280, P301+P316, P305+P354+P338, P317, P321, P330, P405, and P501
Signal Word:	Danger

Complexity:	203
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	288.90607
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	288.90607
Rotatable Bond Count:	1
Topological Polar Surface Area:	12.9
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	4.2