Ethyl 2-cyano-2-(4-(trifluoromethyl)phenyl)acetate CAS 180267-18-9
| CAS No. | 180267-18-9 |
| Molecular Formula | C12H10F3NO2 |
| Molecular Weight | 257.21 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Ethyl 2-cyano-2-(4-(trifluoromethyl)phenyl)acetate (C12H10F3NO2) contains a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, fluorine substitution. Halogen substitution raises its density and boiling point, its high carbon-to-hydrogen ratio confers good lipid solubility, the carboxyl group imparts weak acidity; these physicochemical properties determine the optimal preparation and storage of its standard solutions. 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).
Ethyl 2-cyano-2-(4-(trifluoromethyl)phenyl)acetate (CAS 180267-18-9) is a high-purity analytical reference standard with the molecular formula C12H10F3NO2 and a molecular weight of 257.21 g/mol.
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 | C12H10F3NO2 |
| Molecular Weight | 257.21 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, keep tightly closed to prevent evaporation |
| 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) | 7.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2008 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 1 |
Related Ethyl Standards
- Ethyl 4-cyano-3-(trifluoromethyl)phenyacetate (CAS 1806349-82-5)
- 3-Cyano-4-(2-fluorophenoxy)benzoic acid (CAS 1056952-13-6)
- 4'-Cyano-3-fluoro-3'-hydroxy-[1,1'-biphenyl]-4-carboxylic acid (CAS 1261964-35-5)
- 4-(2-Cyano-3-fluorophenoxy)benzoic acid (CAS 944663-07-4)
- 4-Cyano-5-methyl-2,5-dihydrofuran-3-yl trifluoromethanesulfonate (CAS 2774614-11-6)
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Recommended Standards
- 2-(((tert-Butoxycarbonyl)amino)methyl)-3,3,3-trifluoropropanoic acid (CAS 1781066-99-6)
- 4-acetyl-3-(3,3,3-trifluoropropoxy)benzonitrile (CAS 1803588-31-9)
- 1-(3-(2-(Trifluoromethyl)phenyl)-1,2,4-oxadiazol-5-yl)ethanamine (CAS 1779133-39-9)
- 2-{[(tert-butoxy)carbonyl]amino}-3,3,3-trifluoro-2-methylpropanoic acid (CAS 170462-68-7)
- 2-(Methyl(phenyl)amino)-2-oxoethyl 3-methylthiophene-2-carboxylate (CAS 387853-38-5)
- 2-(Aminomethyl)-4,6-dimethylaniline (CAS 1138027-34-5)
- N-((6-Bromopyridin-3-yl)methyl)propan-2-amine hydrochloride (CAS 1353972-00-5)
- Perindopril L-Arginine (CAS 612548-45-5)
- N-(3-Formyl-4-hydroxyphenyl)methanesulfonamide (CAS 875925-92-1)
- n-(2-(2-Methylthiazol-4-yl)ethyl)-5-nitropyridin-2-amine (CAS 1017112-11-6)
- (E)-2-(Thiophen-2-yl)ethene-1-sulfonyl fluoride (CAS 2093304-41-5)
- Urapidil Impurity 64 (CAS CATO-C4X-192464)
- Volatile Mix 59 (CAS CATO-MVOC109159-ME)
- Semaglutide Impurity 3 (CAS CATO-C4X-22263)
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