8-Hydroxy-5-nitroquinoline - CAS 4008-48-4

Name: 8-Hydroxy-5-nitroquinoline
Brand: BOC Sciences
Rating: 5 (1 reviews)

Technical Data

IUPAC Name:	5-nitroquinolin-8-ol
Description:	Nitroxoline is a urinary antibacterial agent had proven to be very effective at combating biofilm infections.
Molecular Weight:	190.16
Molecular Formula:	C9H6N2O3
Canonical SMILES:	C1=CC2=C(C=CC(=C2N=C1)O)[N+](=O)[O-]
InChI:	InChI=1S/C9H6N2O3/c12-8-4-3-7(11(13)14)6-2-1-5-10-9(6)8/h1-5,12H
InChI Key:	RJIWZDNTCBHXAL-UHFFFAOYSA-N
Boiling Point:	419 °C at 760 mmHg
Melting Point:	181-183 °C
Purity:	≥ 95 %
Density:	1.496 g/cm³
Solubility:	Soluble in DMSO
Appearance:	Ochre-yellow to brownish crystalline powder
Storage:	Store at 2-8 °C
MDL:	MFCD00006791
LogP:	2.37180
Quality Standard:	Enterprise Standard

GHS Hazard Statement:	H301+H311+H331 (65.96%): Toxic if swallowed, in contact with skin or if inhaled [Danger Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P340, P305+P351+P338, P311, P312, P321, P322, P330, P332+P313, P337+P313, P361, P362, P363, P403+P233, P405, and P501
Signal Word:	Danger

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PMID	Publication Date	Title	Journal
31638783	20191118	Repurposing of Nitroxoline Drug for the Prevention of Neurodegeneration	Chemical research in toxicology
30184207	20181101	Review of the pharmacokinetic properties of nitrofurantoin and nitroxoline	The Journal of antimicrobial chemotherapy
22728969	20121001	Experimental and theoretical quantum chemical investigations of 8-hydroxy-5-nitroquinoline	Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy
22695927	20120901	Synthesis and characterization of 8-hydroxyquinoline complexes of tin(IV) and their application in organic light emitting diode	Journal of fluorescence
22391578	20120421	Substituted oxines inhibit endothelial cell proliferation and angiogenesis	Organic & biomolecular chemistry

Complexity:	229
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	190.03784206
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	190.03784206
Rotatable Bond Count:	0
Topological Polar Surface Area:	78.9 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.1