2-Ethyl-6-Nitro-2,3-Dihydroimidazo[2,1-b][1,3]Oxazole
[CAS# 127692-13-1]

Identification

• Name: 2-Ethyl-6-Nitro-2,3-Dihydroimidazo[2,1-b][1,3]Oxazole
• Synonyms: 2-Ethyl-6-Nitro-2,3-Dihydroimidazo[2,1-B]Oxazole; 2-Ethyl-5-Nitro-2,3-Dihydroimidazo[2,1-B]Oxazole; Aids-009195
• Molecular Formula: C₇H₉N₃O₃
• Molecular Weight: 183.17
• CAS Registry Number: 127692-13-1
• SMILES: C1=C(N=C2[N]1CC(CC)O2)[N+]([O-])=O
• InChI: 1S/C7H9N3O3/c1-2-5-3-9-4-6(10(11)12)8-7(9)13-5/h4-5H,2-3H2,1H3
• InChIKey: AEKVVFWCBKEYSC-UHFFFAOYSA-N

Properties

• Density: 1.597g/cm³ (Cal.)
• Boiling point: 340°C at 760 mmHg (Cal.)
• Flash point: 159.426°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