Quinoxaline - CAS 91-19-0

Catalog:	BB040077
Product Name:	Quinoxaline
CAS:	91-19-0
Synonyms:	1,4-Benzodiazine; 1,4-Diazanaphthalene; 1,4-Naphthyridine; Benzo[a]pyrazine; Benzoparadiazine; Benzopyrazine; Phenopiazine; Phenpiazine; Quinazine

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Computed Properties

IUPAC Name:	quinoxaline
Molecular Weight:	130.15
Molecular Formula:	C8H6N2
Canonical SMILES:	C1=CC=C2C(=C1)N=CC=N2
InChI:	InChI=1S/C8H6N2/c1-2-4-8-7(3-1)9-5-6-10-8/h1-6H
InChI Key:	XSCHRSMBECNVNS-UHFFFAOYSA-N
Boiling Point:	220-223°C
Melting Point:	28-34°C
Purity:	95%
Density:	1.183±0.06 g/cm3
Appearance:	Yellow solid
Storage:	Keep away from sources of ignition. Store in a cool, dry place. Store in a tightly closed container.
MDL:	MFCD00006719
LogP:	1.62980

Publication Number	Title	Priority Date
US-2021104678-A1	Organic compound, electroluminescent material, and use thereof	20200922
US-10882852-B1	3-vinylquinolines as cancer cells inhibitors	20200709
US-2020392165-A1	Compound, display panel and display apparatus	20200630
US-2020395554-A1	Compound and organic electro-optical device containing the same	20200515
US-11015113-B1	Wet-coated proppant and methods of making and using same	20200413

PMID	Publication Date	Title	Journal
34189909	20210719	Mechanism-Based Inactivation of Cytochrome P450 3A4 and 3A5 by the Fibroblast Growth Factor Receptor Inhibitor Erdafitinib	Chemical research in toxicology
33986405	20210513	Repurposing potential of posaconazole and grazoprevir as inhibitors of SARS-CoV-2 helicase	Scientific reports
31893549	20200215	Design, synthesis and biological evaluation of quinoxaline compounds as anti-HIV agents targeting reverse transcriptase enzyme	European journal of medicinal chemistry
31283223	20190808	Novel and Selective TLR7 Antagonists among the Imidazo[1,2-a]pyrazines, Imidazo[1,5-a]quinoxalines, and Pyrazolo[1,5-a]quinoxalines Series	Journal of medicinal chemistry
31086981	20190801	Quizalofop-p-Ethyl Induces Adipogenesis in 3T3-L1 Adipocytes	Toxicological sciences : an official journal of the Society of Toxicology

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Related Functional Groups

Quinoxalines

[6627-38-9]
6,7-Dimethyl-2,3-di(2-pyridyl)quinoxaline
[2379-56-8]
6-Nitro-2,3-dihydroxyquinoxaline
[7065-23-8]
Ethyl 2-quinoxalinecarboxylate
[82031-32-1]
7-Bromoquinoxalin-2(1H)-one
[6925-00-4]
Quinoxaline-6-carboxylic acid
[1360599-43-4]
5-Bromo-8-methylquinoxaline

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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

Complexity:	99.8
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	130.053098200
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	130.053098200
Rotatable Bond Count:	0
Topological Polar Surface Area:	25.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.3