3-Iodoadamantane-1-Carboxylic Acid
[CAS# 42711-77-3]

Identification

• Name: 3-Iodoadamantane-1-Carboxylic Acid
• Synonyms: 3-Iodo-1-Adamantanecarboxylic Acid; 1-Iodo-3-Adamantanecarboxylic Acid; 3-Adamantanecarboxylic Acid, 1-Iodo-
• Molecular Formula: C₁₁H₁₅IO₂
• Molecular Weight: 306.14
• CAS Registry Number: 42711-77-3
• SMILES: O=C(O)C23CC1CC(CC(I)(C1)C2)C3
• InChI: 1S/C11H15IO2/c12-11-4-7-1-8(5-11)3-10(2-7,6-11)9(13)14/h7-8H,1-6H2,(H,13,14)
• InChIKey: VMCNPOBDWYHJAP-UHFFFAOYSA-N

Properties

• Density: 1.792g/cm³ (Cal.)
• Boiling point: 376.96°C at 760 mmHg (Cal.)
• Flash point: 181.779°C (Cal.)

References

• (1): David G. Harman and Stephen J. Blanksby. Investigation of the gas phase reactivity of the 1-adamantyl radical using a distonic radical anion approach, Org. Biomol. Chem., 2007, 5, 3495.