2-Bromo-4,4,4-trifluoro-2-butenenitrile CAS 157735-86-9
| CAS No. | 157735-86-9 |
| Molecular Formula | C4HBrF3N |
| Molecular Weight | 199.96 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
2-Bromo-4,4,4-trifluoro-2-butenenitrile (CAS 157735-86-9), molecular formula C4HBrF3N and molecular weight 199.96 g/mol, is a CATO reference standard with documented purity and traceability.
Based on its molecular formula C4HBrF3N, 2-Bromo-4,4,4-trifluoro-2-butenenitrile contains a nitrile group, fluorine/bromine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 199.96 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
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 | C4HBrF3N |
| Molecular Weight | 199.96 g/mol |
| Appearance | White to pale yellow crystalline powder. (slight halide-like odor, faint amine-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 methanol, acetonitrile, DMSO |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light |
| Degree of Unsaturation (DBE) | 3.0 |
| UV Absorption | UV-absorbing |
| CAS Registry Year (est.) | 2002 |
| Halogen Content | F/Br-containing |
| Nitrogen Atoms | 1 |
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- 1-(BROMOMETHYL)-N-METHYLCYCLOPROPANECARBOXAMIDE (CAS 1956379-54-6)
- 4-(4-Formyl-1H-pyrazol-1-yl)benzonitrile (CAS 1152958-56-9)
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- Semaglutide impurity 75 (CAS CATO-C4X-222675)
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