2-(4-Bromo-1H-pyrrol-2-yl)acetonitrile CAS 62380-96-5
| CAS No. | 62380-96-5 |
| Molecular Formula | C6H5BrN2 |
| Molecular Weight | 185.02 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
2-(4-Bromo-1H-pyrrol-2-yl)acetonitrile (CAS 62380-96-5) is a high-purity analytical reference standard with the molecular formula C6H5BrN2 and a molecular weight of 185.02 g/mol.
2-(4-Bromo-1H-pyrrol-2-yl)acetonitrile (C6H5BrN2) contains a nitrile group, bromine substitution, an aromatic ring system. Halogen substitution raises its density and boiling point; these physicochemical properties determine the optimal preparation and storage of its standard solutions. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
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 | C6H5BrN2 |
| Molecular Weight | 185.02 g/mol |
| Appearance | Off-white to pale yellow crystalline powder. (slight halide-like odor, faint amine-like odor) |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep tightly closed to prevent evaporation |
| Solubility (reference) | Soluble in DMSO, DMF, methanol |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light |
| Degree of Unsaturation (DBE) | 5.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1974 |
| Halogen Content | Br-containing |
| Nitrogen Atoms | 2 |
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