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49679-45-0

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49679-45-0 Structure

49679-45-0 Structure
IdentificationBack Directory
[Name]

ETHYL 3-CHLOROQUINOXALINE-2-CARBOXYLATE
[CAS]

49679-45-0
[Synonyms]

ETHYL 3-CHLOROQUINOXALINE-2-CARBOXYLATE
3-Chloroquinoxaline-2-carboxylic acid ethyl ester
2-Quinoxalinecarboxylic acid, 3-chloro-, ethyl ester
[Molecular Formula]

C11H9ClN2O2
[MDL Number]

MFCD09953512
[MOL File]

49679-45-0.mol
[Molecular Weight]

236.65
Chemical PropertiesBack Directory
[Melting point ]

41-42℃
[Boiling point ]

330.7±37.0 °C(Predicted)
[density ]

1.341
[storage temp. ]

under inert gas (nitrogen or Argon) at 2-8°C
[form ]

solid
[pka]

-5.14±0.48(Predicted)
[Appearance]

White to light brown <41°C Solid,>42°C Liquid
[InChI]

1S/C11H9ClN2O2/c1-2-16-11(15)9-10(12)14-8-6-4-3-5-7(8)13-9/h3-6H,2H2,1H3
[InChIKey]

YGTZHKWLTOJGOI-UHFFFAOYSA-N
[SMILES]

O=C(OCC)C1=NC(C=CC=C2)=C2N=C1Cl
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302+H312+H332-H315-H319-H335
[Precautionary statements ]

P280-P301+P312-P260
[WGK Germany ]

WGK 3
[HazardClass ]

IRRITANT
[HS Code ]

2933998090
[Storage Class]

11 - Combustible Solids
Spectrum DetailBack Directory
[Spectrum Detail]

ETHYL 3-CHLOROQUINOXALINE-2-CARBOXYLATE(49679-45-0)1HNMR
Hazard InformationBack Directory
[References]

[1] European Journal of Medicinal Chemistry, 2018, vol. 154, p. 101 - 109
[2] Journal of Heterocyclic Chemistry, 2007, vol. 44, # 5, p. 1139 - 1143
[3] Bioorganic and Medicinal Chemistry Letters, 2011, vol. 21, # 4, p. 1253 - 1256
[4] Journal of the Chemical Society, 1945, p. 622,625
[5] Zhurnal Obshchei Khimii, 1955, vol. 25, p. 161,163; engl. Ausg. S. 145, 147
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