Methyl 2-(Trifluoromethyl)isonicotinate CAS 588702-68-5
| CAS No. | 588702-68-5 |
| Molecular Formula | C8H6F3NO2 |
| Molecular Weight | 205.13 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 205.13 g/mol gives Methyl 2-(Trifluoromethyl)isonicotinate distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
Methyl 2-(Trifluoromethyl)isonicotinate (CAS 588702-68-5), molecular formula C8H6F3NO2 and molecular weight 205.13 g/mol, is a CATO reference standard with documented purity and traceability.
Based on its molecular formula C8H6F3NO2, Methyl 2-(Trifluoromethyl)isonicotinate contains a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, fluorine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 205.13 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. 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 | C8H6F3NO2 |
| Molecular Weight | 205.13 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 tightly closed to prevent evaporation |
| 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.) | 1984 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 1 |
Related Methyl Standards
- 2-(4-(Trifluoromethyl)pyridin-2-yl)acetic acid (CAS 1000515-78-5)
- 3-(Trifluoromethyl)pyridine-5-acetic acid (CAS 1000516-17-5)
- 2-[3-(Trifluoromethyl)-2-pyridyl]acetic Acid (CAS 1000521-27-6)
- 2-(Trifluoromethyl)pyridine-3-acetic acid (CAS 1000568-14-8)
- 2-(2-(Trifluoromethyl)pyridin-4-yl)acetic acid (CAS 1008737-00-5)
- 5-Methyl-6-(trifluoromethyl)nicotinic acid (CAS 1105979-57-4)
- 3-Acetyl-6-(trifluoromethyl)pyridin-2(1H)-one (CAS 116548-05-1)
- Methyl 3-(trifluoromethyl)isonicotinate (CAS 1203952-88-8)
Recommended Standards
- 6-Nitroquinoxaline-2,3-dione (CAS 2379-56-8)
- Methyl 3-(Trifluoromethyl)pyridine-2-carboxylate (CAS 588702-69-6)
- 6-Methyl-5-(trifluoromethyl)picolinic acid (CAS 855916-28-8)
- Methyl 6-(Trifluoromethyl)nicotinate (CAS 221313-10-6)
- Furin Inhibitor II (CAS 673202-67-0)
- Ethyl 2-hydroxy-2-(trifluoromethyl)propanoate (CAS 107018-39-3)
- 2-(2-methyloxolan-3-ylidene)acetic acid (CAS 1564185-47-2)
- 2-methoxy-2-methylpropanimidamide hydrochloride (CAS 619329-28-1)
- 8-(4,4,4-Trifluorobutyl)imidazo[1,2-a]pyrazine-6-carboximidamide (CAS 1838149-53-3)
- 1-Cyclopentyl-3-(3-ethynylphenyl)urea (CAS 1486964-62-8)
- 3,4,5-Trichlorophenol acetate (CAS 59190-61-3)
- 3-Ethyl-5-(3-methyl-5-(methylthio)-1,3,4-thiadiazol-2(3H)-ylidene)-2-thioxothiazolidin-4-one (CAS 3891-77-8)
- 1-chloro-4-fluoro-5-iodo-2-methylbenzene (CAS 1263275-80-4)
- Liraglutide Impurity 19 TFA Salt (CAS CATO-C4X-199219)
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