1-Methyl-3-(2-methyl-2-propanyl)-4-nitro-1H-pyrazole-5-carbaldehyde
[CAS# 817172-31-9]

Identification

• Name: 1-Methyl-3-(2-methyl-2-propanyl)-4-nitro-1H-pyrazole-5-carbaldehyde
• Synonyms: 3-(tert-butyl)-1-methyl-4-nitro-1H-pyrazole-5-carbaldehyde; 5-tert-Butyl-2-methyl-4-nitro-2H-pyrazole-3-; 5-TERT-BUTYL-2-METHYL-4-NITRO-2H-PYRAZOLE-3-CARBOXALDEHYDE
• Molecular Formula: C₉H₁₃N₃O₃
• Molecular Weight: 211.22
• CAS Registry Number: 817172-31-9
• SMILES: O=Cc1c([N+]([O-])=O)c(nn1C)C(C)(C)C
• InChI: 1S/C9H13N3O3/c1-9(2,3)8-7(12(14)15)6(5-13)11(4)10-8/h5H,1-4H3
• InChIKey: JRNHTVSDVAZTAJ-UHFFFAOYSA-N

Properties

• Density: 1.25g/cm³ (Cal.)
• Boiling point: 346.892°C at 760 mmHg (Cal.)
• Flash point: 163.595°C (Cal.)
• Refractive index: 1.562 (Cal.)