5-Fluoro-2-isobutoxybenzoic acid CAS 1096786-58-1
| CAS No. | 1096786-58-1 |
| Molecular Formula | C11H13FO3 |
| Molecular Weight | 212.22 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Owing to a carboxylic acid group, a hydroxyl group, an ether linkage, fluorine substitution, an aromatic ring system, 5-Fluoro-2-isobutoxybenzoic acid is typically off-white to pale yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 212.22 g/mol — guide the selection of appropriate sample preparation and analytical techniques. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
5-Fluoro-2-isobutoxybenzoic acid (CAS 1096786-58-1) is a high-purity analytical reference standard with the molecular formula C11H13FO3 and a molecular weight of 212.22 g/mol.
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.
As a certified reference material (CRM), 5-Fluoro-2-isobutoxybenzoic acid 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 | C11H13FO3 |
| Molecular Weight | 212.22 g/mol |
| Appearance | Off-white to pale yellow crystalline powder. (slight halide-like odor) |
| Purity | 97%+ |
| Storage | Store in a cool place (≤25°C), 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; 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.) | 1989 |
| Halogen Content | F-containing |
Related Fluoro Standards
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Recommended Standards
- Ethyl 3-(4-fluorophenoxy)propanoate (CAS 109174-29-0)
- Methyl 4-(2-fluorophenoxy)butanoate (CAS 1096828-31-7)
- 2-Butoxy-5-fluorobenzoic acid (CAS 1096888-88-8)
- 4-(2,4-Difluorophenyl)thiazol-2-amine (CAS 105512-80-9)
- 5-(2,5-Dimethyl-1h-pyrrol-1-yl)-2-methylphenylamine (CAS 943117-83-7)
- (S)-3-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)-2-(4-(tert-butoxy)benzyl)propanoic acid (CAS 671233-55-9)
- 1-Methyl-N-(3-methylbutan-2-yl)-1h-pyrazol-4-amine (CAS 1153749-45-1)
- (S)-1-(5-(trifluoromethyl)pyridin-2-yl)ethan-1-amine (CAS 1213191-77-5)
- 2-Chloro-4-fluoro-n-propylbenzenesulfonamide (CAS 1094711-25-7)
- 4-methoxy-2-nitrophenyl thiocyanate (CAS 59607-71-5)
- 1-(4-Ethylphenyl)-2-methylpropan-1-amine (CAS 853724-04-6)
- (R)-3-aminohexanedioic acid hydrochloride (CAS 63492-85-3)
- 8-Hydroxy-4-oxo-4H-chromene-2-carboxylic acid (CAS 129472-71-5)
- Semaglutide impurity 271 (CAS CATO-C4X-2226271)
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