tert-Butyl 4-bromo-2-fluoro-6-methylbenzoate CAS 2445654-61-3
| CAS No. | 2445654-61-3 |
| Molecular Formula | C12H14BrFO2 |
| Molecular Weight | 289.14 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
This reference standard is suitable for quantitative analysis on major chromatographic platforms including HPLC, GC, LC-MS/MS, and GC-MS, serving as an external calibration standard or a system suitability test reference material.
tert-Butyl 4-bromo-2-fluoro-6-methylbenzoate (CAS 2445654-61-3), molecular formula C12H14BrFO2 and molecular weight 289.14 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, tert-Butyl 4-bromo-2-fluoro-6-methylbenzoate (C12H14BrFO2) 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 289.14 g/mol, it falls into the medium-molecular-weight range. The aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).
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 | C12H14BrFO2 |
| Molecular Weight | 289.14 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.) | 2000 |
| Halogen Content | F/Br-containing |
Recommended Standards
- 5-(3,5-Dichloro-4-hydroxy-benzylidene)-2-thioxo-imidazolidin-4-one (CAS 292168-70-8)
- Tert-butyl 5-bromo-2-fluoro-3-methylbenzoate (CAS 2504203-85-2)
- 3-Hydroxy-2,3-dimethylbutan-2-yl hydrogen (5-(1h-pyrazol-1-yl)pyridin-2-yl)boronate (CAS 2223037-60-1)
- tert-Butyl 6-bromo-2-fluoro-3-methylbenzoate (CAS 2379321-33-0)
- methyl 6-chloro-1H-pyrrolo[2,3-b]pyridine-2-carboxylate (CAS 1140512-58-8)
- 5-Amino-2-chloro-N-(4-ethoxyphenyl)benzene-1-sulfonamide (CAS 325724-70-7)
- 1-Methylisoquinoline-8-carbaldehyde (CAS 1416713-00-2)
- 2-Bromo-4-(5-hydroxy-3-methyl-1H-pyrazol-1-yl)benzonitrile (CAS 1008520-71-5)
- 3-Amino-2,2-dimethyl-1-(5-methylfuran-2-yl)propan-1-ol (CAS 1512574-39-8)
- 3,8-Dimethyl-6-nitro-4,7-phenanthrolin-5-amine (CAS 116142-50-8)
- (3-Chloro-4-cyanophenyl)boronic acid (CAS 1008415-02-8)
- 3’,4’-Dimethoxy-2’-methylacetophenone (CAS 5417-20-9)
- L(-)-Epinephrine (CAS 51-43-4)
- Insulin Degludec Impurity 10 (CAS CATO-C4X-215710)
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