2-(Chloromethyl)-5-Nitro-2,3-Dihydroimidazo[2,1-b][1,3]Oxazole
[CAS# 73332-80-6]

Identification

• Name: 2-(Chloromethyl)-5-Nitro-2,3-Dihydroimidazo[2,1-b][1,3]Oxazole
• Synonyms: 2-(Chloromethyl)-5-Nitro-2,3-Dihydroimidazo[2,1-B]Oxazole; Stk326385; Imidazo(2,1-B)Oxazole, 2-(Chloromethyl)-2,3-Dihydro-5-Nitro-
• Molecular Formula: C₆H₆ClN₃O₃
• Molecular Weight: 203.58
• CAS Registry Number: 73332-80-6
• SMILES: C1=C([N]2C(=N1)OC(C2)CCl)[N+]([O-])=O
• InChI: 1S/C6H6ClN3O3/c7-1-4-3-9-5(10(11)12)2-8-6(9)13-4/h2,4H,1,3H2
• InChIKey: AQUMABWVUSQAOC-UHFFFAOYSA-N

Properties

• Density: 1.871g/cm³ (Cal.)
• Boiling point: 400.019°C at 760 mmHg (Cal.)
• Flash point: 195.725°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