1-(2,4-Dinitroimidazol-1-Yl)Propan-2-Ol
[CAS# 73332-73-7]

Identification

• Name: 1-(2,4-Dinitroimidazol-1-Yl)Propan-2-Ol
• Synonyms: 1-(2,4-Dinitro-1-Imidazolyl)Propan-2-Ol; Aids-059083; Aids059083
• Molecular Formula: C₆H₈N₄O₅
• Molecular Weight: 216.15
• CAS Registry Number: 73332-73-7
• SMILES: C1=C(N=C([N]1CC(O)C)[N+]([O-])=O)[N+]([O-])=O
• InChI: 1S/C6H8N4O5/c1-4(11)2-8-3-5(9(12)13)7-6(8)10(14)15/h3-4,11H,2H2,1H3
• InChIKey: WLAGHFMQUTYMAZ-UHFFFAOYSA-N

Properties

• Density: 1.752g/cm³ (Cal.)
• Boiling point: 490.79°C at 760 mmHg (Cal.)
• Flash point: 250.621°C (Cal.)

References

• (1): Philip Prathipati, Ngai Ling Ma* and Thomas H. Keller. Global Bayesian Models for the Prioritization of Antitubercular Agents, J. Chem. Inf. Model., 2008, 48 (12), pp 2362–2370