1-(4-Butylphenyl)-2,2,2-trifluoroethan-1-one CAS 40739-44-4
| CAS No. | 40739-44-4 |
| Molecular Formula | C12H13F3O |
| Molecular Weight | 230.23 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.
1-(4-Butylphenyl)-2,2,2-trifluoroethan-1-one (CAS 40739-44-4), molecular formula C12H13F3O and molecular weight 230.23 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, 1-(4-Butylphenyl)-2,2,2-trifluoroethan-1-one (C12H13F3O) contains a hydroxyl group, an ether linkage, fluorine substitution, an aromatic ring system. The molecule exhibits a degree of unsaturation (DBE) of 5.0, corresponding to approximately 5 ring(s) or double-bond equivalent(s). With a molecular weight of 230.23 g/mol, it falls into the medium-molecular-weight range. The high carbon-to-hydrogen ratio imparts good lipophilicity, allowing liquid-liquid extraction with non-polar solvents such as n-hexane or ethyl acetate.
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
Physical & Chemical Properties
| Molecular Formula | C12H13F3O |
| Molecular Weight | 230.23 g/mol |
| Purity | 97%+ |
| Storage | Store at room temperature, keep tightly closed to prevent evaporation |
| Solubility (reference) | Soluble in chloroform, dichloromethane, ethyl acetate, DMSO |
| Stability | May oxidize slowly on prolonged air exposure |
| Degree of Unsaturation (DBE) | 5.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1968 |
| Halogen Content | F-containing |
Related Butylphenyl Standards
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- (R)-1-(4-Butylphenyl)-2,2,2-trifluoroethan-1-amine (CAS 1213699-26-3)
- 1-(4-Butylphenyl)-2,2,2-trifluoroethan-1-amine (CAS 886368-50-9)
Recommended Standards
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