tert-Butyl 4-Fluoro-3-nitrobenzoate CAS 579514-75-3
| CAS No. | 579514-75-3 |
| Molecular Formula | C11H12FNO4 |
| Molecular Weight | 241.22 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of tert-Butyl 4-Fluoro-3-nitrobenzoate is closely related to a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, fluorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
CATO supplies tert-Butyl 4-Fluoro-3-nitrobenzoate (CAS 579514-75-3), a certified reference material (molecular formula C11H12FNO4, MW 241.22 g/mol) for analytical method development and quality control.
Structurally, tert-Butyl 4-Fluoro-3-nitrobenzoate (C11H12FNO4) contains a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, fluorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 6.0, corresponding to approximately 6 ring(s) or double-bond equivalent(s). With a molecular weight of 241.22 g/mol, it falls into the medium-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).
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 | C11H12FNO4 |
| Molecular Weight | 241.22 g/mol |
| Appearance | Off-white to pale yellow crystalline powder. (slight halide-like odor) |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep sealed and dry, keep tightly closed to prevent evaporation |
| Solubility (reference) | Soluble in methanol, ethanol, DMSO |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Hygroscopic; reseal immediately after opening; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 6.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1984 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 1 |
Recommended Standards
- tert-Butyl 4-Fluoro-2-nitrobenzoate (CAS 942271-60-5)
- Enzalutamide Impurity 6 (CAS 1332524-02-3)
- Tert-butyl 2-fluoro-5-nitrobenzoate (CAS 526218-22-4)
- Flurbiprofen Impurity 60 (CAS 78543-07-4)
- 2-((4-Methylpiperidin-1-yl)methyl)phenol (CAS 865074-60-8)
- 1-(Pyridin-2-ylmethyl)-1H-pyrazolo[3,4-b]pyridin-6(7H)-one (CAS 1437485-32-9)
- 2-tert-Butylimidazo[1,2-a]pyridin-6-amine (CAS 904814-15-9)
- 3-(4-Isobutylphenyl)-N'-(3-phenylallylidene)-1H-pyrazole-5-carbohydrazide (CAS 307975-69-5)
- (2-Methylpentan-3-yl)({[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl})amine hydrochloride (CAS 1258640-15-1)
- 4-Nitrophenyl 2-Acetamido-2-deoxy-(6-O-2-acetamido-2-deoxy-α-D-gluco-pyranosyl)-α-D-galactopyranoside (CAS 2395-99-5)
- Ethyl 4-(2-bromophenyl)-2-methylpyrimidine-5-carboxylate (CAS 311340-73-5)
- 7-Methoxy-1H-indazole-6-carboxylic acid methyl ester (CAS 907190-29-8)
- 3-((2-Chloro-6-fluorobenzyl)oxy)-1-(2,4-dichlorobenzyl)-2-methylpyridin-4(1H)-one (CAS 303144-72-1)
- Fragment-[3-31]-Semaglutide (CAS CATO-C4X-2226113)
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