2-acetylquinoxaline - CAS 25594-62-1

Catalog:	BB018968
Product Name:	2-acetylquinoxaline
CAS:	25594-62-1
Synonyms:	1-(2-quinoxalinyl)ethanone; 1-quinoxalin-2-ylethanone

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	1-quinoxalin-2-ylethanone
Description:	2-acetylquinoxaline (CAS# 25594-62-1) is a useful intermediate for the synthesis of quinoxalines, quinoxalines derivatives and other dyes and pharmaceutical related products. .
Molecular Weight:	172.18
Molecular Formula:	C10H8N2O
Canonical SMILES:	CC(=O)C1=NC2=CC=CC=C2N=C1
InChI:	InChI=1S/C10H8N2O/c1-7(13)10-6-11-8-4-2-3-5-9(8)12-10/h2-6H,1H3
InChI Key:	SWGILLQQUULMJB-UHFFFAOYSA-N
Boiling Point:	287.74 ℃ at 760 mmHg
Melting Point:	77-79 ℃
Purity:	95 %
Density:	1.217 g/cm³
Appearance:	Solid
MDL:	MFCD07808559
LogP:	1.83240

Publication Number	Title	Priority Date
US-2019322700-A1	Inhibitors of transglutaminases	20161227
WO-2018122419-A1	Inhibitors of transglutaminases	20161227
US-2020002372-A1	Aminosteroid derivatives and process for producing same	20160602
WO-2017205964-A1	Aminosteroid derivatives and process for producing same	20160602
WO-2013185103-A1	Macrocyclic inhibitors of flaviviridae viruses	20120608

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Related Functional Groups

Carbonyl Compounds

[5650-34-0]
Oxiran-2-yl(phenyl)methanone
[70199-62-1]
(4-Pyridyl)acetone Hydrochloride
[1006443-01-1]
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[832741-29-4]
1-(4-Bromo-5-propylthiophen-2-yl)ethanone
[70912-52-6]
1,3-Dioxane-4,6-dione,2,2-dimethyl-5-(2-pyrrolidinylidene)-
[91552-11-3]
2-(3-Chlorophenyl)cyclopropanecarboxylic Acid

GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, and P362
Signal Word:	Warning

Complexity:	205
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	172.063662883
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	172.063662883
Rotatable Bond Count:	1
Topological Polar Surface Area:	42.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.3