3-(2-Chloro-4-Nitrophenyl)-5-(2-Methyl-2-Propanyl)-1,3,4-Oxadiazol-2(3H)-One
[CAS# 31399-83-4]

Identification

• Name: 3-(2-Chloro-4-Nitrophenyl)-5-(2-Methyl-2-Propanyl)-1,3,4-Oxadiazol-2(3H)-One
• Synonyms: 3-(2-chloro-4-nitrophenyl)-5-(1,1-dimethylethyl)-1,3,4-oxadiazol-2(3H)-one
• Molecular Formula: C₁₂H₁₂ClN₃O₄
• Molecular Weight: 297.69
• CAS Registry Number: 31399-83-4
• EINECS: 250-613-4
• SMILES: O=C2O\C(=N/N2c1c(Cl)cc([N+]([O-])=O)cc1)C(C)(C)C
• InChI: 1S/C12H12ClN3O4/c1-12(2,3)10-14-15(11(17)20-10)9-5-4-7(16(18)19)6-8(9)13/h4-6H,1-3H3
• InChIKey: ZVCSOYNAOLZQED-UHFFFAOYSA-N

Properties

• Density: 1.448g/cm³ (Cal.)
• Boiling point: 389.294°C at 760 mmHg (Cal.)
• Flash point: 189.239°C (Cal.)