tert-Butyl 4-bromo-2-(trifluoromethoxy)benzoate CAS 2379322-16-2
| CAS No. | 2379322-16-2 |
| Molecular Formula | C12H12BrF3O3 |
| Molecular Weight | 341.12 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
tert-Butyl 4-bromo-2-(trifluoromethoxy)benzoate (CAS 2379322-16-2), molecular formula C12H12BrF3O3 and molecular weight 341.12 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, tert-Butyl 4-bromo-2-(trifluoromethoxy)benzoate (C12H12BrF3O3) contains a carboxylic acid group, a hydroxyl group, an ether linkage, fluorine/bromine substitution, an aromatic ring system. The molecule exhibits a degree of unsaturation (DBE) of 5.0, corresponding to approximately 5 ring(s) or double-bond equivalent(s). With a molecular weight of 341.12 g/mol, it falls into the moderately-high-molecular-weight range. The high carbon-to-hydrogen ratio imparts good lipophilicity, allowing liquid-liquid extraction with non-polar solvents such as n-hexane or ethyl acetate.
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
As a certified reference material (CRM), tert-Butyl 4-bromo-2-(trifluoromethoxy)benzoate meets the metrological traceability requirements of ISO/IEC 17025 laboratories. Batch-to-batch consistency is monitored via control charts to guarantee comparable assigned values across lots.
Physical & Chemical Properties
| Molecular Formula | C12H12BrF3O3 |
| Molecular Weight | 341.12 g/mol |
| Appearance | Off-white to pale yellow crystalline powder. (slight halide-like odor, low volatility) |
| Purity | 97%+ |
| Storage | Store in a cool place (≤25°C), keep sealed and dry |
| Solubility (reference) | Soluble in chloroform, dichloromethane, ethyl acetate, DMSO |
| Stability | May oxidize slowly on prolonged air exposure; Hygroscopic; reseal immediately after opening; 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.) | 1999 |
| Halogen Content | F/Br-containing |
Recommended Standards
- n-(3-Fluorophenyl)-3-iodobenzamide (CAS 349118-34-9)
- Methyl 10-bromo-9-fluoro-5,6-dihydrobenzo[f]imidazo[1,2-d][1,4]oxazepine-2-carboxylate (CAS 1451089-41-0)
- 4-Fluoro-N-(4-iodophenyl)benzamide (CAS 326-03-4)
- 2-(3-Bromophenyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridine (CAS 944580-87-4)
- 3-(3,4-Dichlorophenyl)-5-trifluoromethylbenzoic acid (CAS 1261930-84-0)
- Pseudoionone（Mixture of Isomers） (CAS 141-10-6)
- tert-Butyl 7-fluoroindoline-1-carboxylate (CAS 1823295-30-2)
- 3,3-Dimethyl-N-(2H-tetrazol-5-yl)butanamide (CAS 515859-55-9)
- 1-Methyl-2-(thiazol-2-yl)-1H-imidazole-4-carbaldehyde (CAS 623906-10-5)
- 2,2,5-Trimethyl-1,3-dioxane-5-carbaldehyde (CAS 138517-53-0)
- 1H,1H-Perfluoro-1-decanol (CAS 307-37-9)
- 3-((Benzo[d]oxazol-2-ylthio)methyl)-4-methoxybenzaldehyde (CAS 327047-71-2)
- 4-Formyl-3-(trifluoromethyl)benzonitrile (CAS 211796-64-4)
- D-[Phe]6-Semaglutide (CAS CATO-CPTD788633)
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