3-Pyridinecarboxylic acid 4-methylbenzenesulfonate
[CAS# 99148-57-9]

Identification

• Name: 3-Pyridinecarboxylic acid 4-methylbenzenesulfonate
• Synonyms: 4-Methylbenzenesulfonic Acid; Nicotinic Acid; 3-Pyridinecarboxylic Acid, 4-Methylbenzenesulfonate
• Molecular Formula: C₁₃H₁₃NO₅S
• Molecular Weight: 295.31
• CAS Registry Number: 99148-57-9
• SMILES: C1=CC(=CC=C1[S](O)(=O)=O)C.C2=C(C=NC=C2)C(O)=O
• InChI: 1S/C7H8O3S.C6H5NO2/c1-6-2-4-7(5-3-6)11(8,9)10;8-6(9)5-2-1-3-7-4-5/h2-5H,1H3,(H,8,9,10);1-4H,(H,8,9)
• InChIKey: XTMVDYMHFQIDOH-UHFFFAOYSA-N

Properties

• Boiling point: 558.9°C at 760 mmHg (Cal.)
• Flash point: 291.8°C (Cal.)