2,2,2-Trifluoroethyl 2-cyanoacetate CAS 27827-83-4
| CAS No. | 27827-83-4 |
| Molecular Formula | C5H4F3NO2 |
| Molecular Weight | 167.09 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The molecular framework of 2,2,2-Trifluoroethyl 2-cyanoacetate (C5H4F3NO2) is characterized by an amide group, a carboxylic acid 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. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
2,2,2-Trifluoroethyl 2-cyanoacetate (CAS 27827-83-4) is a high-purity analytical reference standard with the molecular formula C5H4F3NO2 and a molecular weight of 167.09 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.
CATO manufactures 2,2,2-Trifluoroethyl 2-cyanoacetate under ISO 17034:2016 accreditation with dual CNAS and ANAB accreditation. Each batch is characterized by orthogonal methods and supplied with a full Certificate of Analysis (COA), ensuring metrological traceability.
Physical & Chemical Properties
| Molecular Formula | C5H4F3NO2 |
| Molecular Weight | 167.09 g/mol |
| Appearance | 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) | 3.0 |
| UV Absorption | UV-absorbing |
| CAS Registry Year (est.) | 1964 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 1 |
Related Trifluoroethyl Standards
- 5-(2,2,2-Trifluoroethyl)-1,3,4-oxadiazol-2-amine (CAS 1016735-53-7)
- 1-(2,2,2-Trifluoroethyl)pyrrolidin-3-one (CAS 1096881-58-1)
- n-(2,2,2-Trifluoroethyl)cyclopentanamine (CAS 1017024-34-8)
- 3-(2,2,2-Trifluoroethyl)piperidine (CAS 1368342-91-9)
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- 2-(2,2,2-Trifluoroethyl)thiophene (CAS 157928-45-5)
- 1,2,2-Trifluoroethyl trifluoromethyl ether (CAS 84011-06-3)
Recommended Standards
- 1-Methyl-3-(trifluoromethyl)-1H-1,2,4-triazol-5-ol (CAS 51856-20-3)
- 4-Methyl-5-(trifluoromethyl)-2,4-dihydro-3H-1,2,4-triazol-3-one (CAS 51856-10-1)
- [3-(trifluoromethyl)-1,2-oxazol-4-yl]methanol (CAS 493019-55-9)
- Methyl 2-cyano-3,3,3-trifluoropropanoate (CAS 97821-47-1)
- [(3-methoxyphenyl)methyl]hydrazine dihydrochloride (CAS 849021-11-0)
- Ethyl (4-isocyanatophenyl)acetate (CAS 827629-60-7)
- 4-Chloro-2,6-bis(4,5-dihydro-4,4-dimethyl-2-oxazolyl)pyridine (CAS 1196894-73-1)
- 6-Chloro-4-cyanonicotinic acid (CAS 1256791-53-3)
- 6-Methyl-5,6,7,8-tetrahydropteridine (CAS 72672-16-3)
- 2-((Cyclohexyloxy)methyl)benzaldehyde (CAS 1443305-16-5)
- Ethyl 4,5-difluoro-2-methylphenylacetate (CAS 1806312-38-8)
- Methyl 4-(2-(cyclopropylamino)-2-oxoethoxy)benzoate (CAS 929997-13-7)
- Cyclo(L-Leu-trans-4-hydroxy-L-Pro) (CAS 115006-86-5)
- Semaglutide Impurity 176 (CAS CATO-C4X-2226176)
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