2-(3-Bromo-4-fluorophenyl)-2-(diethylamino)propanoic acid CAS 1275729-69-5
| CAS No. | 1275729-69-5 |
| Molecular Formula | C13H17BrFNO2 |
| Molecular Weight | 318.18 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
As a certified reference material (CRM), 2-(3-Bromo-4-fluorophenyl)-2-(diethylamino)propanoic 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.
2-(3-Bromo-4-fluorophenyl)-2-(diethylamino)propanoic acid (CAS 1275729-69-5) is a high-purity analytical reference standard with the molecular formula C13H17BrFNO2 and a molecular weight of 318.18 g/mol.
Structurally, 2-(3-Bromo-4-fluorophenyl)-2-(diethylamino)propanoic acid (C13H17BrFNO2) contains a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, fluorine/bromine substitution. 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 318.18 g/mol, it falls into the moderately-high-molecular-weight range. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
Physical & Chemical Properties
| Molecular Formula | C13H17BrFNO2 |
| Molecular Weight | 318.18 g/mol |
| Appearance | Off-white to pale yellow crystalline powder. (slight halide-like odor, low volatility) |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light |
| Solubility (reference) | Soluble in chloroform, dichloromethane, ethyl acetate, DMSO |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; 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.) | 1990 |
| Halogen Content | F/Br-containing |
| Nitrogen Atoms | 1 |
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Recommended Standards
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- tert-Butyl 3-(bromomethyl)-1H-indole-1-carboxylate (CAS 96551-21-2)
- 6,7-Dimethoxy-2-((3-methylthiophen-2-yl)methyl)-1,2,3,4-tetrahydroisoquinoline (CAS 5259-43-8)
- L-Thr-Obzl.HCI (CAS 33645-24-8)
- 4-(3-(4-Bromophenyl)-5-(2,3-dimethoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl)-4-oxobutanoic acid (CAS 335398-96-4)
- Dalbavancin Impurity 4 (CAS CATO-C4X-16024)
- 2-(4-Nitrophenyl)isoindolin-1-one (CAS 4770-74-5)
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