Quinoxaline N-oxide - CAS 6935-29-1

Catalog:	BB033787
Product Name:	Quinoxaline N-oxide
CAS:	6935-29-1
Synonyms:	1-oxidoquinoxalin-1-ium

Technical Data

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Computed Properties

IUPAC Name:	1-oxidoquinoxalin-1-ium
Description:	Quinoxaline N-oxide (CAS# 6935-29-1 ) is a useful research chemical.
Molecular Weight:	146.15
Molecular Formula:	C8H6N2O
Canonical SMILES:	C1=CC=C2C(=C1)N=CC=[N+]2[O-]
InChI:	InChI=1S/C8H6N2O/c11-10-6-5-9-7-3-1-2-4-8(7)10/h1-6H
InChI Key:	OARGFWQSVACNCO-UHFFFAOYSA-N
Boiling Point:	318.5 °C at 760 mmHg
Density:	1.24 g/cm³
LogP:	1.66330

Publication Number	Title	Priority Date
WO-2021125246-A1	Fluorescent curable dental composition and cured product thereof	20191217
WO-2021115432-A1	Novel quinazoline-containing compound, and intermediate thereof and use thereof	20191211
WO-2021084498-A1	Fluorinated quinoline, quinoxaline and benzo[b][1,4]oxazine derivatives as dihydroorotate dehydrogenase (dhodh) inhibitors for the treatment of cancer, autoimmune and inflammatory diseases	20191101
KR-102231872-B1	Method for site-selective alkylation of Diazine-N-oxide using phosphonium ylides	20191004
WO-2021062163-A1	Methods for treating myelofibrosis and related conditions	20190927

PMID	Publication Date	Title	Journal
17180971	20061201	Reaction kinetics and transformation of carbadox and structurally related compounds with aqueous chlorine	Environmental science & technology
16007981	20050617	A new strategy for the selective determination of D-amino acids: enzymatic and chemical modifications for pre-column derivatization	Journal of chromatography. A

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Related Functional Groups

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[32601-86-8]
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[1628908-19-9]
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[1562581-18-3]
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[7251-61-8]
2-Methylquinoxaline

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	140
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:	0
Isotope Atom Count:	0
Monoisotopic Mass:	146.048012819
Rotatable Bond Count:	0
Topological Polar Surface Area:	38.4
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.2