1-(3-Chloroprop-1-yn-1-yl)-4-(trifluoromethoxy)benzene CAS 1179157-09-5
| CAS No. | 1179157-09-5 |
| Molecular Formula | C10H6ClF3O |
| Molecular Weight | 234.60 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
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.
1-(3-Chloroprop-1-yn-1-yl)-4-(trifluoromethoxy)benzene (CAS 1179157-09-5) is a high-purity analytical reference standard with the molecular formula C10H6ClF3O and a molecular weight of 234.60 g/mol.
Based on its molecular formula C10H6ClF3O, 1-(3-Chloroprop-1-yn-1-yl)-4-(trifluoromethoxy)benzene contains a hydroxyl group, an ether linkage, fluorine/chlorine substitution, an aromatic ring system; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 234.60 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. The aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).
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 | C10H6ClF3O |
| Molecular Weight | 234.60 g/mol |
| Appearance | Off-white to pale yellow crystalline powder. (slight halide-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 chloroform, dichloromethane, ethyl acetate, DMSO |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light |
| Degree of Unsaturation (DBE) | 6.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1989 |
| Halogen Content | F/Cl-containing |
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