CAS 91131-72-5

4-tert-butyl-3-iodo-benzoic acid

Description:

4-tert-Butyl-3-iodo-benzoic acid is an organic compound characterized by its aromatic structure, which includes a benzoic acid moiety substituted with a tert-butyl group and an iodine atom. The presence of the tert-butyl group, a bulky alkyl substituent, contributes to its steric hindrance, influencing its reactivity and solubility. The iodine atom, being a halogen, can participate in various chemical reactions, such as nucleophilic substitutions. This compound is typically a solid at room temperature and may exhibit moderate solubility in organic solvents, while its solubility in water is generally low due to the hydrophobic nature of the tert-butyl group. The carboxylic acid functional group (-COOH) imparts acidic properties, allowing it to participate in acid-base reactions. Additionally, the compound may exhibit interesting properties in terms of its melting point and boiling point, which are influenced by the molecular interactions and the presence of the iodine atom. Overall, 4-tert-butyl-3-iodo-benzoic acid is a valuable compound in organic synthesis and medicinal chemistry.

Formula: C₁₁H₁₃IO₂

InChI: InChI=1/C11H13IO2/c1-11(2,3)8-5-4-7(10(13)14)6-9(8)12/h4-6H,1-3H3,(H,13,14)

SMILES: CC(C)(C)c1ccc(cc1I)C(=O)O

Synonyms:

• 4-tert-butyl-3-iodobenzoic acid
• Benzoic acid, 4-(1,1-dimethylethyl)-3-iodo-

4-(tert-Butyl)-3-iodobenzoic acid

CAS: 91131-72-5

Formula: C₁₁H₁₃IO₂

Purity: 95%

Color and Shape: Solid

Molecular weight: 304.1242

Ref: IN-DA006QSB