2-[(2,2,2-trifluoroethyl)carbamoyl]acetic acid CAS 1248985-24-1
| CAS No. | 1248985-24-1 |
| Molecular Formula | C5H6F3NO3 |
| Molecular Weight | 185.10 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
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.
2-[(2,2,2-trifluoroethyl)carbamoyl]acetic acid (CAS 1248985-24-1), molecular formula C5H6F3NO3 and molecular weight 185.10 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, 2-[(2,2,2-trifluoroethyl)carbamoyl]acetic acid (C5H6F3NO3) contains an amide group, a carboxylic acid group, a hydroxyl group, an ether linkage, fluorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 2.0, corresponding to approximately 2 ring(s) or double-bond equivalent(s). With a molecular weight of 185.10 g/mol, it falls into the medium-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.
Physical & Chemical Properties
| Molecular Formula | C5H6F3NO3 |
| Molecular Weight | 185.10 g/mol |
| 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 methanol, ethanol, DMSO, water |
| Stability | Light-sensitive; avoid direct strong light; Hygroscopic; reseal immediately after opening; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 2.0 |
| CAS Registry Year (est.) | 1990 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 1 |
Related trifluoroethyl Standards
- Ethyl 2-[(2,2,2-Trifluoroethyl)amino]acetateDISCONTINUED PLEASE SEE E684895 (CAS 1021002-60-7)
- 2,2,2-trifluoroethyl N-(propan-2-yl)carbamate (CAS 1027616-97-2)
- Methyl 3-[(2,2,2-trifluoroethyl)amino]propanoate (CAS 1099610-40-8)
- 2-Methyl-2-((2,2,2-trifluoroethyl)amino)propanoic acid (CAS 1179284-80-0)
- 2,2,2-Trifluoroethyl n-propylcarbamate (CAS 1221723-10-9)
- Methyl 2-((2,2,2-trifluoroethyl)amino)propanoate (CAS 1502819-68-2)
- 4-(2,2,2-Trifluoroethyl)benzonitrile (CAS 1198117-92-8)
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Recommended Standards
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- 6-bromo-1-benzofuran-3-carboxylic acid (CAS 1393570-42-7)
- 5-Ethyl-1-((2R,5S)-5-(hydroxymethyl)tetrahydrofuran-2-yl)pyrimidine-2,4(1H,3H)-dione (CAS 108895-49-4)
- Epalrestat Impurity 13 (CAS 66051-14-7)
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