3-Hydroxy-2-Methyl-5-[(Phosphonooxy)Methyl]-4-Pyridinecarboxaldehyde Calcium Salt (1:1)
[CAS# 5913-70-2]

Identification

• Name: 3-Hydroxy-2-Methyl-5-[(Phosphonooxy)Methyl]-4-Pyridinecarboxaldehyde Calcium Salt (1:1)
• Synonyms: Calcium (4-Formyl-5-Hydroxy-6-Methyl-3-Pyridyl)Methyl Phosphate; Calcium (5-Hydroxy-4-Methanoyl-6-Methyl-Pyridin-3-Yl)Methyl Phosphate; 3-Hydroxy-2-Methyl-5-((Phosphonooxy)Methyl)-4-Pyridinecarboxaldehyde Calcium Salt (1:1)
• Molecular Formula: C₈H₈CaNO₆P
• Molecular Weight: 285.21
• CAS Registry Number: 5913-70-2
• SMILES: C1=NC(=C(C(=C1CO[P](=O)([O-])[O-])C=O)O)C.[Ca++]
• InChI: 1S/C8H10NO6P.Ca/c1-5-8(11)7(3-10)6(2-9-5)4-15-16(12,13)14;/h2-3,11H,4H2,1H3,(H2,12,13,14);/q;+2/p-2
• InChIKey: FHUYQVNATYLYKD-UHFFFAOYSA-L

Properties

• Boiling point: 565.7°C at 760 mmHg (Cal.)
• Flash point: 296°C (Cal.)