4-Amino-3-chlorobenzotrifluoride CAS 39885-50-2
| CAS No. | 39885-50-2 |
| Molecular Formula | C7H5ClF3N |
| Molecular Weight | 195.57 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.
4-Amino-3-chlorobenzotrifluoride (CAS 39885-50-2) is a high-purity analytical reference standard with the molecular formula C7H5ClF3N and a molecular weight of 195.57 g/mol.
Owing to a nitrile group, fluorine/chlorine substitution, an aromatic ring system, 4-Amino-3-chlorobenzotrifluoride is typically off-white to pale yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 195.57 g/mol — guide the selection of appropriate sample preparation and analytical techniques. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
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 | C7H5ClF3N |
| Molecular Weight | 195.57 g/mol |
| Appearance | Off-white to pale yellow crystalline powder. (slight halide-like odor, faint amine-like odor, low volatility) |
| Purity | >95% |
| Storage | Store at 2-8°C, protect from light, keep tightly closed to prevent evaporation |
| Solubility (reference) | Soluble in methanol, acetonitrile, DMSO |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light |
| Degree of Unsaturation (DBE) | 4.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1968 |
| Halogen Content | F/Cl-containing |
| Nitrogen Atoms | 1 |
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