2,2-Dimethylpropyl 4-Nitrobenzoate
[CAS# 3581-73-5]

Identification

• Name: 2,2-Dimethylpropyl 4-Nitrobenzoate
• Synonyms: 4-Nitrobenzoic acid, 2,2-dimethylpropyl ester; Neopentyl 4-nitrobenzoate; Neopentyl 4-nitrobenzoate #
• Molecular Formula: C₁₂H₁₅NO₄
• Molecular Weight: 237.25
• CAS Registry Number: 3581-73-5
• SMILES: O=[N+]([O-])c1ccc(C(=O)OCC(C)(C)C)cc1
• InChI: 1S/C12H15NO4/c1-12(2,3)8-17-11(14)9-4-6-10(7-5-9)13(15)16/h4-7H,8H2,1-3H3
• InChIKey: OKBJGMCNFJRTJG-UHFFFAOYSA-N

Properties

• Density: 1.156g/cm³ (Cal.)
• Boiling point: 342.544°C at 760 mmHg (Cal.)
• Flash point: 140.916°C (Cal.)