4-(tert-Butyl)-3-iodobenzoic acid CAS 91131-72-5
| CAS No. | 91131-72-5 |
| Molecular Formula | C11H13IO2 |
| Molecular Weight | 304.12 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of 4-(tert-Butyl)-3-iodobenzoic acid is closely related to a carboxylic acid group, a hydroxyl group, an ether linkage, iodine substitution, an aromatic ring system in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
4-(tert-Butyl)-3-iodobenzoic acid (CAS 91131-72-5), molecular formula C11H13IO2 and molecular weight 304.12 g/mol, is a CATO reference standard with documented purity and traceability.
Based on its molecular formula C11H13IO2, 4-(tert-Butyl)-3-iodobenzoic acid contains a carboxylic acid group, a hydroxyl group, an ether linkage, iodine substitution, an aromatic ring system; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 304.12 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
CATO manufactures 4-(tert-Butyl)-3-iodobenzoic acid under ISO 17034:2016 accreditation with dual CNAS and ANAB accreditation. Each batch is characterized by orthogonal methods and supplied with a full Certificate of Analysis (COA), ensuring metrological traceability.
Physical & Chemical Properties
| Molecular Formula | C11H13IO2 |
| Molecular Weight | 304.12 g/mol |
| Appearance | Off-white to pale yellow crystalline powder. (slight halide-like odor) |
| Purity | 97%+ |
| Storage | Store at room temperature |
| Solubility (reference) | Soluble in chloroform, dichloromethane, ethyl acetate, DMSO |
| Stability | May oxidize slowly on prolonged air exposure; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 5.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1983 |
| Halogen Content | I-containing |
Recommended Standards
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