4-Tert-Butyl-1-(4-Iodophenyl)-2,6,7-Trioxabicyclo(2.2.2)Octane
[CAS# 117439-67-5]

Identification

• Name: 4-Tert-Butyl-1-(4-Iodophenyl)-2,6,7-Trioxabicyclo(2.2.2)Octane
• Synonyms: 4-I-Tbob; 4-Tert-Butyl-1-(4-Iodophenyl)-2,6,7-Trioxabicyclo(2.2.2)Octane; 2,6,7-Trioxabicyclo(2.2.2)Octane, 4-(1,1-Dimethylethyl)-1-(4-Iodophenyl)-
• Molecular Formula: C₁₅H₁₉IO₃
• Molecular Weight: 374.22
• CAS Registry Number: 117439-67-5
• SMILES: C1=CC(=CC=C1C23OCC(CO2)(CO3)C(C)(C)C)I
• InChI: 1S/C15H19IO3/c1-13(2,3)14-8-17-15(18-9-14,19-10-14)11-4-6-12(16)7-5-11/h4-7H,8-10H2,1-3H3
• InChIKey: XFHCOMPFTDWWQD-UHFFFAOYSA-N

Properties

• Density: 1.572g/cm³ (Cal.)
• Boiling point: 369.367°C at 760 mmHg (Cal.)
• Flash point: 177.187°C (Cal.)