2-(3,5-Diiodo-4-Oxopyridin-1-Yl)Acetic Acid
[CAS# 101-29-1]

Identification

• Name: 2-(3,5-Diiodo-4-Oxopyridin-1-Yl)Acetic Acid
• Synonyms: 2-(3,5-Diiodo-4-Oxo-1-Pyridyl)Acetic Acid; 2-(3,5-Diiodo-4-Keto-1-Pyridyl)Acetic Acid; 2-(3,5-Diiodo-4-Oxo-Pyridin-1-Yl)Ethanoic Acid
• Molecular Formula: C₇H₅I₂NO₃
• Molecular Weight: 404.93
• CAS Registry Number: 101-29-1
• EINECS: 202-932-5
• SMILES: C(N1C=C(C(=O)C(=C1)I)I)C(O)=O
• InChI: 1S/C7H5I2NO3/c8-4-1-10(3-6(11)12)2-5(9)7(4)13/h1-2H,3H2,(H,11,12)
• InChIKey: PVBALTLWZVEAIO-UHFFFAOYSA-N

Properties

• Density: 2.7±0.1g/cm³ (Cal.)
• Melting point: 244°C (Expl.)
• Boiling point: 422.8±45.0°C at 760 mmHg (Cal.)
• Flash point: 209.5±28.7°C (Cal.)

Safety Data

• Safety Code: S26;S37;S60
• Risk Code: R36/37/38
• Hazard Symbol: X
• Safety Description: CAUTION: May irritate eyes, skin, and respiratory tract

References

• (1): P. J. Cox and G. Hickey. 3,5-Diiodo-4-oxo-1,4-dihydropyridine-1-acetic acid, Acta Cryst. (2001). E57, o495-o497