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CAS Number: 49679-45-0
ethyl 3-chloroquinoxaline-2-carboxylate

Structure

ethyl 3-chloroquinoxaline-2-carboxylate
Name: ethyl 3-chloroquinoxaline-2-carboxylate
Synonyms:
General Information
Product Number: 49679450
CAS Registry Number: 49679-45-0
Name:
2-​Quinoxalinecarboxyli​c acid, 3-​chloro-​, ethyl ester
3-​Chloroquinoxaline-​2-​carboxylic acid ethyl ester; Ethyl 3-​chloroquinoxaline-​2-​carboxylate 
 
Chemical Formula: C11H9ClN2O2
Exact Mass: 236.04
Molecular Weight: 236.65
m/z: 236.04 (100.0%), 238.03 (32.0%), 237.04 (12.1%), 239.04 (3.9%), 238.04 (1.2%)
Elemental Analysis: C, 55.83; H, 3.83; Cl, 14.98; N, 11.84; O, 13.52
 
InChI: 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
Canonical SMILES : CCOC(=O)C1=NC2=CC=CC=C2N=C1Cl
 
Thermal Properties Value Condition Note
Melting Point 42.5 °C   (2)CAS
Melting Point 41.5-42 °C   (3)CAS
Melting Point 41.5-42 °C   (4)CAS
Melting Point 40 °C   (1)CAS

Specification

98%

References
  1. (1) Eller, Gernot A.; Journal of Heterocyclic Chemistry 2007, V44(5), P1139-1143 CAPLUS
  2. (2) Gowenlock, A. H.; Journal of the Chemical Society 1945, P622-5 CAPLUS
  3. (3) Elina, A. S.; Zhurnal Obshchei Khimii 1955, V25, P161-8 CAPLUS
  4. (4) Elina, A. S.; Zhurnal Obshchei Khimii 1955, V25, P145-9 CAPLUS
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