2-(6-Bromo-5-(difluoromethyl)-4-(trifluoromethyl)pyridin-3-yl)acetic acid CAS 1807008-01-0
| CAS No. | 1807008-01-0 |
| Molecular Formula | C9H5BrF5NO2 |
| Molecular Weight | 334.04 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of 2-(6-Bromo-5-(difluoromethyl)-4-(trifluoromethyl)pyridin-3-yl)acetic acid is closely related to a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, fluorine/bromine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
2-(6-Bromo-5-(difluoromethyl)-4-(trifluoromethyl)pyridin-3-yl)acetic acid (CAS 1807008-01-0) is a high-purity analytical reference standard with the molecular formula C9H5BrF5NO2 and a molecular weight of 334.04 g/mol.
Structurally, 2-(6-Bromo-5-(difluoromethyl)-4-(trifluoromethyl)pyridin-3-yl)acetic acid (C9H5BrF5NO2) 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 334.04 g/mol, it falls into the moderately-high-molecular-weight range. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
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), 2-(6-Bromo-5-(difluoromethyl)-4-(trifluoromethyl)pyridin-3-yl)acetic 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 | C9H5BrF5NO2 |
| Molecular Weight | 334.04 g/mol |
| Appearance | Off-white to pale yellow crystalline powder. (slight halide-like odor, faint amine-like odor, low volatility) |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light |
| Solubility (reference) | Soluble in methanol, acetonitrile, DMSO, water (slightly soluble) |
| 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.) | 1995 |
| Halogen Content | F/Br-containing |
| Nitrogen Atoms | 1 |
Related Bromo Standards
- 2-(6-Bromo-5-(difluoromethyl)-2-(trifluoromethyl)pyridin-3-yl)acetic acid (CAS 1804464-32-1)
- 2-(6-Bromo-3-(difluoromethyl)-5-(trifluoromethyl)pyridin-2-yl)acetic acid (CAS 1804464-37-6)
- 2-(6-Bromo-5-(difluoromethyl)-3-(trifluoromethyl)pyridin-2-yl)acetic acid (CAS 1805046-89-2)
- 2-(2-Bromo-5-(difluoromethyl)-4-(trifluoromethyl)pyridin-3-yl)acetic acid (CAS 1805256-48-7)
- 2-(6-Bromo-5-(difluoromethyl)-4-(trifluoromethyl)pyridin-2-yl)acetic acid (CAS 1805358-53-5)
- 2-(4-Bromo-3-(difluoromethyl)-6-(trifluoromethyl)pyridin-2-yl)acetic acid (CAS 1805397-61-8)
- 2-(2-Bromo-3-(difluoromethyl)-5-(trifluoromethyl)pyridin-4-yl)acetic acid (CAS 1805960-41-1)
- 2-(2-Bromo-5-(difluoromethyl)-6-(trifluoromethyl)pyridin-3-yl)acetic acid (CAS 1805960-49-9)
Recommended Standards
- 2-(4-Bromo-5-(difluoromethyl)-2-(trifluoromethyl)pyridin-3-yl)acetic acid (CAS 1806985-17-0)
- 2-(2-Bromo-6-(difluoromethyl)-5-(trifluoromethyl)pyridin-3-yl)acetic acid (CAS 1807008-45-2)
- 4-Bromo-5-(difluoromethyl)-3-(trifluoromethyl)pyridine-2-acetic acid (CAS 1806922-17-7)
- 1-Bromo-2-(2-bromo-1-(cyclopropylmethoxy)ethyl)benzene (CAS 1250642-97-7)
- 2-Hydroxy-6-(4-methoxyphenyl)nicotinic acid (CAS 147269-07-6)
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