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CAS Number: 51984-71-5
ethyl 2-methyl-5-nitronicotinate

Structure

ethyl 2-methyl-5-nitronicotinate
Name: ethyl 2-methyl-5-nitronicotinate
Synonyms:
General Information
Product Number: 51984715
CAS Registry Number: 51984-71-5
Name:
3-​Pyridinecarboxylic acid, 2-​methyl-​5-​nitro-​, ethyl ester
Ethyl 2-​methyl-​5-​nitronicotinate; NSC 146799 
 
Chemical Formula: C9H10N2O4
Exact Mass: 210.06
Molecular Weight: 210.19
m/z: 210.06 (100.0%), 211.07 (10.0%), 212.07 (1.3%)
Elemental Analysis: C, 51.43; H, 4.80; N, 13.33; O, 30.45
 
InChI: InChI=1S/C9H10N2O4/c1-3-15-9(12)8-4-7(11(13)14)5-10-6(8)2/h4-5H,3H2,1-2H3
InChIKey: PBYXNPIXRRSBFZ-UHFFFAOYSA-N
Canonical SMILES : CCOC(=O)C1=CC(=CN=C1C)[N+](=O)[O-]
 
Thermal Properties Value Condition Note
Melting Point 64-65 °C   (2)CAS
Melting Point 63-64 °C   (3)IC

Specification

98%

References
  1. (1) WSS: Spectral data were obtained from Wiley Subscription Services, Inc. (US)
  2. (2) Fanta, Paul E.; Journal of the American Chemical Society 1953, V75, P737-8 CAPLUS
  3. (3) Hoffman, Jacob M.; Journal of Organic Chemistry 1984, V49(1), P193-5 CAPLUS
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