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2-Quinoxalinone

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2-Quinoxalinone Basic information

Product Name:
2-Quinoxalinone
Synonyms:
  • 2-QUINOXALINOL
  • 2-Quinoxalinone
  • 2-HYDROXYQUINOXALINE
  • QUINOXALIN-2-OL
  • 1,2-Dihydroquinoxalin-2-one
  • 2-(1H)-Quinoxalinone
  • 2(1H)-Quinoxalinone
  • 2-Quinoxalone
CAS:
1196-57-2
MF:
C8H6N2O
MW:
146.15
EINECS:
214-815-6
Product Categories:
  • Building Blocks
  • Heterocyclic Building Blocks
  • Quinoxalines
Mol File:
1196-57-2.mol
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2-Quinoxalinone Chemical Properties

Melting point:
271-272 °C (lit.)
Boiling point:
265.75°C (rough estimate)
Density 
1.2312 (rough estimate)
refractive index 
1.4900 (estimate)
storage temp. 
Sealed in dry,Room Temperature
solubility 
DMSO (Slightly), Methanol (Very Slightly, Heated)
form 
Solid
pka
9.20±0.50(Predicted)
color 
Light Brown
InChI
InChI=1S/C8H6N2O/c11-8-5-9-6-3-1-2-4-7(6)10-8/h1-5H,(H,10,11)
InChIKey
FFRYUAVNPBUEIC-UHFFFAOYSA-N
SMILES
N1C2=C(C=CC=C2)N=CC1=O
CAS DataBase Reference
1196-57-2(CAS DataBase Reference)
NIST Chemistry Reference
2(1H)-quinoxalinone(1196-57-2)
EPA Substance Registry System
2(1H)-Quinoxalinone (1196-57-2)
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Safety Information

Hazard Codes 
Xi
Risk Statements 
36/37/38
Safety Statements 
26-36/39-37/39
WGK Germany 
3
RTECS 
VD3630000
HS Code 
29339900
Toxicity
mouse,LD50,intravenous,178mg/kg (178mg/kg),U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#00285,
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2-Quinoxalinone Usage And Synthesis

Chemical Properties

White to yellow to light brown solid

Uses

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.

Definition

ChEBI: A hydroxyquinoxaline that consists of quinoxaline having a single hydroxy substituent located at position 2.

General Description

Epitaxial crystallization of syndiotactic polypropylene on 2-quinoxalinol yields isochiral form II of syndiotactic polypropylene. 2-Quinoxalinol participates in direct dehydrative cross-coupling of 2-quinoxalinone with p-tolylacetylene via Pd/Cu-catalyzed phosphonium coupling.

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