tert-Butyl 3-bromo-4-fluorobenzoate CAS 375368-94-8
| CAS No. | 375368-94-8 |
| Molecular Formula | C11H12BrFO2 |
| Molecular Weight | 275.11 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Under current pharmacopoeial and regulatory frameworks, quality-control requirements for this class of reference material explicitly involve the control of targets including tert-Butyl 3-bromo-4-fluorobenzoate.
tert-Butyl 3-bromo-4-fluorobenzoate (CAS 375368-94-8) is a high-purity analytical reference standard with the molecular formula C11H12BrFO2 and a molecular weight of 275.11 g/mol.
Based on its molecular formula C11H12BrFO2, tert-Butyl 3-bromo-4-fluorobenzoate contains a carboxylic acid group, a hydroxyl group, an ether linkage, fluorine/bromine substitution, an aromatic ring system; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 275.11 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. 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 3-bromo-4-fluorobenzoate 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 | C11H12BrFO2 |
| Molecular Weight | 275.11 g/mol |
| Appearance | Off-white to pale yellow crystalline powder. (slight halide-like odor, low volatility) |
| Purity | 97%+ |
| Storage | Store at room temperature, keep tightly closed to prevent evaporation |
| 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.) | 2025 |
| Halogen Content | F/Br-containing |
Recommended Standards
- Tert-Butyl 2-bromo-4-fluorobenzoate (CAS 951884-50-7)
- tert-Butyl 4-bromo-2-fluorobenzoate (CAS 889858-12-2)
- O-(3-Butenyl)-N,N-bis(2-chloroethyl)phosphorodiamidate (CAS 39800-29-8)
- Tert-butyl 5-bromo-2-fluorobenzoate (CAS 889858-08-6)
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