[(2R)-2-Hydroxy-3-Iodo-2-Methylpropyl] 4-Nitrobenzenesulfonate
[CAS# 151478-77-2]

Identification

• Name: [(2R)-2-Hydroxy-3-Iodo-2-Methylpropyl] 4-Nitrobenzenesulfonate
• Synonyms: [(2R)-2-Hydroxy-3-Iodo-2-Methyl-Propyl] 4-Nitrobenzenesulfonate; 4-Nitrobenzenesulfonic Acid [(2R)-2-Hydroxy-3-Iodo-2-Methylpropyl] Ester; 4-Nitrobenzenesulfonic Acid [(2R)-2-Hydroxy-3-Iodo-2-Methyl-Propyl] Ester
• Molecular Formula: C₁₀H₁₂INO₆S
• Molecular Weight: 401.17
• CAS Registry Number: 151478-77-2
• SMILES: [C@](O)(CO[S](=O)(=O)C1=CC=C([N+]([O-])=O)C=C1)(CI)C
• InChI: 1S/C10H12INO6S/c1-10(13,6-11)7-18-19(16,17)9-4-2-8(3-5-9)12(14)15/h2-5,13H,6-7H2,1H3/t10-/m0/s1
• InChIKey: RGHMHAJGYNTVAZ-JTQLQIEISA-N

Properties

• Density: 1.863g/cm³ (Cal.)
• Boiling point: 503.487°C at 760 mmHg (Cal.)
• Flash point: 258.3°C (Cal.)

References

• (1): G. Sun, F. R. Fronczek and R. D. Gandour. (R)-2-Hydroxy-3-iodo-2-methylpropyl 4-nitrobenzenesulfonate, Acta Cryst. (1993). C49, 1507-1509