2,2,2-Trifluoro-1-(1H-1,2,4-triazol-1-yl)ethanone CAS 70309-30-7
| CAS No. | 70309-30-7 |
| Molecular Formula | C4H2F3N3O |
| Molecular Weight | 165.07 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of 2,2,2-Trifluoro-1-(1H-1,2,4-triazol-1-yl)ethanone is closely related to an amide group, a hydroxyl group, an ether linkage, fluorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
2,2,2-Trifluoro-1-(1H-1,2,4-triazol-1-yl)ethanone (CAS 70309-30-7), molecular formula C4H2F3N3O and molecular weight 165.07 g/mol, is a CATO reference standard with documented purity and traceability.
The molecular framework of 2,2,2-Trifluoro-1-(1H-1,2,4-triazol-1-yl)ethanone (C4H2F3N3O) is characterized by 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. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
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 | C4H2F3N3O |
| Molecular Weight | 165.07 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 DMSO, DMF, methanol |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light |
| Degree of Unsaturation (DBE) | 4.0 |
| UV Absorption | UV-absorbing |
| CAS Registry Year (est.) | 1977 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 3 |
Related Trifluoro Standards
- 2,2,2-Trifluoro-1-(2-oxazolyl)-1,1-ethanediol 898758-70-8 (CAS 898758-70-8)
- 2,2,2-Trifluoro-1-(furan-3-yl)ethan-1-amine (CAS 1270427-92-3)
- 2,2,2-Trifluoro-1-(1h-pyrrol-2-yl)ethan-1-ol (CAS 151509-97-6)
- (R)-2,2,2-trifluoro-1-(furan-2-yl)ethan-1-amine (CAS 764641-05-6)
- (S)-2,2,2-Trifluoro-1-(furan-2-yl)ethan-1-amine (CAS 413621-62-2)
- 2,2,2-Trifluoro-1-(furan-2-yl)ethanamine (CAS 65686-90-0)
- (S)-2,2,2-Trifluoro-1-(1H-pyrrol-2-yl)ethan-1-amine (CAS 1213850-31-7)
- 2,2,2-Trifluoro-1-(1H-pyrrol-2-yl)ethan-1-amine (CAS 497884-05-6)
Recommended Standards
- 1-Bromo-3-methylpentane (CAS 51116-73-5)
- 2-Bromo-2-methylpentane (CAS 4283-80-1)
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- 2-Bromo-3-methylpentane (CAS 62168-41-6)
- 1H-Pyrrolo[2,1-c][1,4]benzodiazepine-3,11(2H,11aH)-dione, 7-chloro-5,10-dihydro-, (11aS)- (CAS 1581274-41-0)
- tert-Butyl (5-chloropyridin-3-yl)carbamate (CAS 342603-15-0)
- H-His-Ser-OH (CAS 21438-60-8)
- 5-Bromo-3-cyclopropyl-1-ethyl-1H-pyrazole (CAS 1823383-07-8)
- 5-Amino-N-methylpicolinamide (CAS 941284-74-8)
- 1-(3-Chloropyridin-2-yl)ethanone (CAS 131109-75-6)
- 2-Amino-n-tert-butylacetamide (CAS 71034-40-7)
- 3-(prop-2-en-1-yloxy)pyridine (CAS 18343-04-9)
- 3-(2,2,2-Trifluoroethyl)-1H-pyrazolo[3,4-b]pyridin-5-amine (CAS 1186610-02-5)
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