4-Iodo-3-(trifluoromethyl)benzoic Acid CAS 914636-20-7
| CAS No. | 914636-20-7 |
| Molecular Formula | C8H4F3IO2 |
| Molecular Weight | 316.02 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
4-Iodo-3-(trifluoromethyl)benzoic Acid (CAS 914636-20-7), molecular formula C8H4F3IO2 and molecular weight 316.02 g/mol, is a CATO reference standard with documented purity and traceability.
4-Iodo-3-(trifluoromethyl)benzoic Acid (C8H4F3IO2) contains a carboxylic acid group, a hydroxyl group, an ether linkage, fluorine/iodine substitution, an aromatic ring system. Halogen substitution raises its density and boiling point, the carboxyl group imparts weak acidity; these physicochemical properties determine the optimal preparation and storage of its standard solutions. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
The assigned purity is verified by mass-balance and quantitative NMR (qNMR) approaches, with the expanded uncertainty reported at a 95% confidence level (k=2). Batch homogeneity and stability are independently assessed for every lot.
Physical & Chemical Properties
| Molecular Formula | C8H4F3IO2 |
| Molecular Weight | 316.02 g/mol |
| Appearance | Off-white to pale yellow crystalline powder. (slight halide-like odor, low volatility) |
| Purity | 97%+ |
| Storage | Store at room temperature |
| Solubility (reference) | Soluble in methanol, acetonitrile, DMSO, water (slightly soluble) |
| 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.) | 1987 |
| Halogen Content | F/I-containing |
Related Iodo Standards
- 3-Iodo-4-(trifluoromethyl)benzoic acid (CAS 1034690-61-3)
- 3-Iodo-2-(trifluoromethyl)benzoic acid (CAS 1261795-34-9)
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- 2-Iodo-5-(trifluoromethyl)benzoic Acid (CAS 702641-04-1)
Recommended Standards
- 4-Iodo-2-trifluoromethylbenzoic acid (CAS 954815-11-3)
- 5-Iodo-2-(trifluoromethyl)benzoic acid (CAS 655-00-5)
- 4,4'-(Bromomethylene)bis(chlorobenzene) (CAS 6306-46-3)
- Togni Reagent II (CAS 887144-94-7)
- 3-Morpholinoquinoxaline-2-carboxylic acid (CAS 1211503-94-4)
- 599-99-5 Acetic acid, 2,2,2-tribromoethyl ester 3-02-00-00485 (Beilstein Handbook Reference) Acetic acid, ester with tribromoethanol BRN 1762051 Ethyl tribromoacetate Tribromoethyl acetate (CAS 599-99-5)
- 3-(Difluoromethyl)-5-formyl-6-iodopicolinonitrile (CAS 1804733-26-3)
- 4-(4-Chlorobenzyl)piperidine hydrochloride (CAS 36968-94-2)
- Esomeprazole Impurity 121 (CAS CATO-C4X-1112121)
- 1-(4-Bromophenyl)-2-p-tolylethane-1,2-dione (CAS 40396-75-6)
- 5-Fluoro-2-hydroxyphenylboronic Acid (CAS 259209-20-6)
- 3-(Furan-2-yl)-5-hydroxybenzonitrile (CAS 1261897-93-1)
- Ethyl 5-(2-Thienyl)pyrazole-3-carboxylate (CAS 121195-03-7)
- Semaglutide impurity 61 (CAS CATO-C4X-222661)
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