6-Bromo-2-chloro-3-ethylquinoline - CAS 409346-70-9

Catalog:	BB024729
Product Name:	6-Bromo-2-chloro-3-ethylquinoline
CAS:	409346-70-9
Synonyms:	6-bromo-2-chloro-3-ethylquinoline

Technical Data

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Computed Properties

IUPAC Name:	6-bromo-2-chloro-3-ethylquinoline
Description:	6-Bromo-2-chloro-3-ethylquinoline (CAS# 409346-70-9) is a useful research chemical.
Molecular Weight:	270.55
Molecular Formula:	C11H9BrClN
Canonical SMILES:	CCC1=C(N=C2C=CC(=CC2=C1)Br)Cl
InChI:	InChI=1S/C11H9BrClN/c1-2-7-5-8-6-9(12)3-4-10(8)14-11(7)13/h3-6H,2H2,1H3
InChI Key:	RDBIGYMOEAEGJM-UHFFFAOYSA-N
Boiling Point:	345.5 °C at 760 mmHg
Purity:	95 %
Density:	1.522 g/cm³
MDL:	MFCD09029946
LogP:	4.21310

Publication Number	Title	Priority Date
AU-2006274880-A1	Quinoline derivatives as antibacterial agents	20050803
AU-2006274880-B2	Quinoline derivatives as antibacterial agents	20050803
BR-PI0614493-A2	use of a quinoline derivative, combination thereof, pharmaceutical composition, use of said combination, product, process for preparing a compound and said compound	20050803
BR-PI0614493-B1	use of a quinoline-derived compound, its combination, pharmaceutical composition, use of said combination, product, process for preparing a compound and said compound	20050803
CA-2615903-A1	Quinoline derivatives as antibacterial agents	20050803

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning 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+P317, P305+P354+P338, P317, P330, and P501
Signal Word:	Danger

Complexity:	200
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	268.96069
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	268.96069
Rotatable Bond Count:	1
Topological Polar Surface Area:	12.9
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	4.6