1-(Trichloromethoxy)-2-(trifluoromethyl)benzene CAS 1404194-96-2
| CAS No. | 1404194-96-2 |
| Molecular Formula | C8H4Cl3F3O |
| Molecular Weight | 279.47 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 279.47 g/mol gives 1-(Trichloromethoxy)-2-(trifluoromethyl)benzene distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
1-(Trichloromethoxy)-2-(trifluoromethyl)benzene (CAS 1404194-96-2) is a high-purity analytical reference standard with the molecular formula C8H4Cl3F3O and a molecular weight of 279.47 g/mol.
Structurally, 1-(Trichloromethoxy)-2-(trifluoromethyl)benzene (C8H4Cl3F3O) contains a hydroxyl group, an ether linkage, fluorine/chlorine substitution, an aromatic ring system. The molecule exhibits a degree of unsaturation (DBE) of 4.0, corresponding to approximately 4 ring(s) or double-bond equivalent(s). With a molecular weight of 279.47 g/mol, it falls into the medium-molecular-weight range. The presence of an aromatic ring or conjugated system gives the compound characteristic absorption bands in the UV-Vis region, making it well suited to UV or diode-array detection (DAD).
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 | C8H4Cl3F3O |
| Molecular Weight | 279.47 g/mol |
| Appearance | Off-white to pale yellow crystalline powder. (slight halide-like odor, low volatility) |
| Purity | 97%+ |
| Storage | Store at room temperature, keep tightly closed to prevent evaporation |
| Solubility (reference) | Soluble in methanol, acetonitrile, DMSO, water (slightly soluble) |
| Stability | May oxidize slowly on prolonged air exposure |
| Degree of Unsaturation (DBE) | 4.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1991 |
| Halogen Content | F/Cl-containing |
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