4-Cyano-2-methylnicotinic acid 1-oxide
[CAS# 853648-80-3]

Identification

• Name: 4-Cyano-2-methylnicotinic acid 1-oxide
• Synonyms: 3-carboxy-4-cyano-2-methylpyridine 1-oxide; 3-Pyridinecarboxylic acid, 4-cyano-2-methyl-, 1-oxide; 3-PYRIDINECARBOXYLICACID, 4-CYANO-2-METHYL-, 1-OXIDE
• Molecular Formula: C₈H₆N₂O₃
• Molecular Weight: 178.14
• CAS Registry Number: 853648-80-3
• SMILES: Cc1c(c(cc[n+]1[O-])C#N)C(=O)O
• InChI: 1S/C8H6N2O3/c1-5-7(8(11)12)6(4-9)2-3-10(5)13/h2-3H,1H3,(H,11,12)
• InChIKey: LPCPSHRIKWIJJB-UHFFFAOYSA-N

Properties

• Density: 1.4±0.1g/cm³ (Cal.)
• Boiling point: 547.3±50.0°C at 760 mmHg (Cal.)
• Flash point: 284.8±30.1°C (Cal.)
• Refractive index: 1.603 (Cal.)