tert-Butyl 3-bromo-4-chloro-5-fluorobenzoate CAS 2379321-80-7
| CAS No. | 2379321-80-7 |
| Molecular Formula | C11H11BrClFO2 |
| Molecular Weight | 309.56 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Structurally, tert-Butyl 3-bromo-4-chloro-5-fluorobenzoate (C11H11BrClFO2) contains a carboxylic acid group, a hydroxyl group, an ether linkage, fluorine/chlorine/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 309.56 g/mol, it falls into the moderately-high-molecular-weight range. The presence of an aromatic ring or conjugated system gives the compound characteristic absorption bands in the UV-Vis region, making it well suited to UV or diode-array detection (DAD).
tert-Butyl 3-bromo-4-chloro-5-fluorobenzoate (CAS 2379321-80-7), molecular formula C11H11BrClFO2 and molecular weight 309.56 g/mol, is a CATO reference standard with documented purity and traceability.
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
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 | C11H11BrClFO2 |
| Molecular Weight | 309.56 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 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.) | 1999 |
| Halogen Content | F/Cl/Br-containing |
Recommended Standards
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- 1-Bromo-2-chloro-5-isobutyl-4-nitrobenzene (CAS 1393441-78-5)
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