2-Hydroxyquinoxaline - CAS 1196-57-2

Name: 2-Hydroxyquinoxaline
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB004568
Product Name:	2-Hydroxyquinoxaline
CAS:	1196-57-2
Synonyms:	quinoxalin-2-ol; 2(1H)-Quinoxalinone
Application:	2-Quinoxalinone is a metabolite of Quinalphos, and is known to photocatalytically destroy antioxidant vitamins and biogenic amines in vitro and is genotoxic to both light- and dark-exposed bacteria.

Technical Data

IUPAC Name:	1H-quinoxalin-2-one
Description:	2-Hydroxyquinoxaline (CAS# 1196-57-2) is a metabolite of Quinalphos, and is known to photocatalytically destroy antioxidant vitamins and biogenic amines in vitro and is genotoxic to both light- and dark-exposed bacteria.
Molecular Weight:	146.15
Molecular Formula:	C8H6N2O
Canonical SMILES:	C1=CC=C2C(=C1)NC(=O)C=N2
InChI:	InChI=1S/C8H6N2O/c11-8-5-9-6-3-1-2-4-7(6)10-8/h1-5H,(H,10,11)
InChI Key:	FFRYUAVNPBUEIC-UHFFFAOYSA-N
Boiling Point:	363.4 °C at 760 mmHg
Purity:	> 95 %
Density:	1.31 g/cm³
Solubility:	Methanol; DMSO
Storage:	Sealed in dry, Room Temperature
MDL:	MFCD00006722
LogP:	1.33540

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

Publication Number	Title	Priority Date
CN-113264923-A	Synthesis method of 3-gamma-lactam/acylamino alkyl substituted quinoxalinone derivative	20210608
CN-113372215-A	Novel esterification method for synthesizing p-halomethyl benzoate	20210520
CN-113024625-A	Preparation method of 7-ketone-cholesterol acetate	20210325
CN-112812069-A	Synthetic method of 3-methyl-3-quinolol	20210221
CN-112961112-A	(Z) -enaminone compound and synthesis method thereof	20210221

PMID	Publication Date	Title	Journal
23338979	20130401	Biological assay of a novel quinoxalinone with antimalarial efficacy on Plasmodium yoelii yoelii	Parasitology research
23256033	20121213	A Potent and Selective Quinoxalinone-Based STK33 Inhibitor Does Not Show Synthetic Lethality in KRAS-Dependent Cells	ACS medicinal chemistry letters
22563758	20120518	Allylic C-H activations using Cu(II) 2-quinoxalinol salen and tert-butyl hydroperoxide	The Journal of organic chemistry
22416050	20120501	An efficient synthesis of quinoxalinone derivatives as potent inhibitors of aldose reductase	ChemMedChem
22356742	20120430	In vitro and in vivo studies on degradation of quinalphos in rats	Journal of hazardous materials

Complexity:	200
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	146.048012819
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	146.048012819
Rotatable Bond Count:	0
Topological Polar Surface Area:	41.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.8