(2-Tert-Butyl-4,6-Dinitrophenyl) Methanesulfonate
[CAS# 72497-33-7]

Identification

• Name: (2-Tert-Butyl-4,6-Dinitrophenyl) Methanesulfonate
• Synonyms: (2-Tert-Butyl-4,6-Dinitro-Phenyl) Methanesulfonate; Methanesulfonic Acid (2-Tert-Butyl-4,6-Dinitrophenyl) Ester; Methanesulfonic Acid (2-Tert-Butyl-4,6-Dinitro-Phenyl) Ester
• Molecular Formula: C₁₁H₁₄N₂O₇S
• Molecular Weight: 318.30
• CAS Registry Number: 72497-33-7 (29110-68-7)
• SMILES: C1=C(C=C(C(=C1[N+](=O)[O-])O[S](C)(=O)=O)C(C)(C)C)[N+]([O-])=O
• InChI: 1S/C11H14N2O7S/c1-11(2,3)8-5-7(12(14)15)6-9(13(16)17)10(8)20-21(4,18)19/h5-6H,1-4H3
• InChIKey: XKKQXGQLSJXQOS-UHFFFAOYSA-N

Properties

• Density: 1.416g/cm³ (Cal.)
• Boiling point: 443.183°C at 760 mmHg (Cal.)
• Flash point: 221.829°C (Cal.)