1-(Benzo[d]oxazol-2-yl)-2,2,2-trifluoroethan-1-one CAS 222313-83-9
| CAS No. | 222313-83-9 |
| Molecular Formula | C9H4F3NO2 |
| Molecular Weight | 215.13 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Structurally, 1-(Benzo[d]oxazol-2-yl)-2,2,2-trifluoroethan-1-one (C9H4F3NO2) contains a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, fluorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 7.0, corresponding to approximately 7 ring(s) or double-bond equivalent(s). With a molecular weight of 215.13 g/mol, it falls into the medium-molecular-weight range. The aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).
CATO supplies 1-(Benzo[d]oxazol-2-yl)-2,2,2-trifluoroethan-1-one (CAS 222313-83-9), a certified reference material (molecular formula C9H4F3NO2, MW 215.13 g/mol) for analytical method development and quality control.
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 | C9H4F3NO2 |
| Molecular Weight | 215.13 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) | 7.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2020 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 1 |
Related Benzo Standards
- 1-(1H-Benzo[d][1,2,3]triazol-1-yl)-2,2,2-trifluoroethanone (CAS 183266-61-7)
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- 6-(Benzo[d][1,3]dioxol-5-yl)pyridazin-3-amine (CAS 143268-21-7)
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- Benzo[d]thiazole-7-sulfonic acid (CAS 159555-57-4)
- 2-(1H-Benzo[d][1,2,3]triazol-4-yl)cyclohexan-1-one (CAS 65851-34-5)
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Recommended Standards
- 5-Formyl-2-(trifluoromethoxy)benzonitrile (CAS 188725-99-7)
- 1-Ethynyl-3-nitro-5-(trifluoromethyl)benzene (CAS 2228611-47-8)
- 1-Nitro-4-(3,3,3-trifluoro-1-propyn-1-yl)-benzene (CAS 1983-22-8)
- 3-Formyl-5-(trifluoromethoxy)benzonitrile (CAS 1807246-67-8)
- N1-Hexadecyl-1,3-propanediamine (CAS 7173-60-6)
- 2-bromo-1-(2-chloro-4-pyridyl)ethanone;hydrobromide (CAS 569667-89-6)
- Piperidine-4,4-diol (CAS 73390-11-1)
- Potassium trifluoro(3-(methoxycarbonyl)bicyclo[1.1.1]pentan-1-yl)borate (CAS 2410559-74-7)
- 1-(5-Chlorothiophen-2-yl)-4,4,4-trifluorobutane-1,3-dione (CAS 326-73-8)
- 1-Bromo-4-propoxybenzene (CAS 39969-56-7)
- 8-Fluoro-6-methylquinoline-3-carboxylic acid (CAS 1602823-79-9)
- 2-((2-Fluorobenzyl)thio)-3-isobutylthieno[3,2-d]pyrimidin-4(3H)-one (CAS 1788532-80-8)
- 3-Acetamidobut-2-en-2-yl acetate (CAS 63199-86-0)
- Peptide Impurity 64 (CAS CATO-CPTD788964)
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