1-Bromo-5-(bromomethyl)-2-methyl-3-(trifluoromethyl)benzene CAS 2385223-45-8
| CAS No. | 2385223-45-8 |
| Molecular Formula | C9H7Br2F3 |
| Molecular Weight | 331.96 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
1-Bromo-5-(bromomethyl)-2-methyl-3-(trifluoromethyl)benzene (CAS 2385223-45-8), molecular formula C9H7Br2F3 and molecular weight 331.96 g/mol, is a CATO reference standard with documented purity and traceability.
Owing to fluorine/bromine substitution, an aromatic ring system, 1-Bromo-5-(bromomethyl)-2-methyl-3-(trifluoromethyl)benzene is typically off-white to pale yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 331.96 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.
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.
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 | C9H7Br2F3 |
| Molecular Weight | 331.96 g/mol |
| Appearance | Off-white to pale yellow crystalline powder. (slight halide-like odor, low volatility) |
| Purity | 97%+ |
| Storage | Store at room temperature |
| Solubility (reference) | Soluble in methanol, acetonitrile, DMSO |
| 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.) | 1999 |
| Halogen Content | F/Br-containing |
Related Bromo Standards
- 5-Bromo-1-(bromomethyl)-2-methyl-3-(trifluoromethyl)benzene (CAS 2386352-03-8)
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