2-(Trifluoromethyl)-1H-benzimidazole-4-carboxylic acid CAS 6866-57-5
| CAS No. | 6866-57-5 |
| Molecular Formula | C9H5F3N2O2 |
| Molecular Weight | 230.14 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 230.14 g/mol gives 2-(Trifluoromethyl)-1H-benzimidazole-4-carboxylic acid distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
CATO supplies 2-(Trifluoromethyl)-1H-benzimidazole-4-carboxylic acid (CAS 6866-57-5), a certified reference material (molecular formula C9H5F3N2O2, MW 230.14 g/mol) for analytical method development and quality control.
The molecular framework of 2-(Trifluoromethyl)-1H-benzimidazole-4-carboxylic acid (C9H5F3N2O2) is characterized by a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, fluorine substitution. In reversed-phase chromatography, its retention is governed primarily by the protonation state of its nitrogen-containing groups, which provides a practical basis for HPLC-UV/DAD or LC-MS method development. 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 | C9H5F3N2O2 |
| Molecular Weight | 230.14 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, keep sealed and dry, keep tightly closed to prevent evaporation |
| Solubility (reference) | Soluble in DMSO, DMF, methanol |
| 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) | 7.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1958 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 2 |
Related Trifluoromethyl Standards
- 8-(Trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid (CAS 1018828-72-2)
- 6-(Trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxylic Acid (CAS 1019021-78-3)
- 8-(Trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxylic acid (CAS 1019022-49-1)
- 4-[5-(Trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenol (CAS 118828-15-2)
- 6-(Trifluoromethyl)-1H-pyrrolo[3,2-b]pyridine-3-carboxylic acid (CAS 1190311-80-8)
- 4-(Trifluoromethyl)-1H-pyrrolo[3,2-c]pyridine-3-carboxylic acid (CAS 1190313-29-1)
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- 5-(Trifluoromethyl)-1H-pyrrolo[3,2-b]pyridine-3-carboxylic acid (CAS 1190320-25-2)
Recommended Standards
- 2-(Difluoromethyl)-8-fluoroimidazo[1,2-a]pyridine-3-carboxylic acid (CAS 2514942-09-5)
- 2-(Trifluoromethyl)-1H-benzimidazole-6-carboxylic Acid (CAS 82791-93-3)
- 2-(Difluoromethyl)-6-fluoroimidazo[1,2-a]pyridine-3-carboxylic acid (CAS 2168347-64-4)
- 2-(Trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxylic acid (CAS 73221-19-9)
- ((3AR,4R,6R,6aS)-6-(4-amino-3-iodo-1H-pyrazolo[3,4-d]pyrimidin-1-yl)-2,2-dimethyltetrahydro-4H-cyclopenta[d][1,3]dioxol-4-yl)methanol (CAS 1848959-69-2)
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- 1-Decyl-3-methylimidazolium tetrafluoroborate (CAS 244193-56-4)
- 2-(Benzyloxy)pyridine-4-boronic acid (CAS 1256355-62-0)
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