2-Bromo-2-(4-nitrophenyl)acetonitrile CAS 38534-20-2
| CAS No. | 38534-20-2 |
| Molecular Formula | C8H5BrN2O2 |
| Molecular Weight | 241.04 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.
2-Bromo-2-(4-nitrophenyl)acetonitrile (CAS 38534-20-2) is a high-purity analytical reference standard with the molecular formula C8H5BrN2O2 and a molecular weight of 241.04 g/mol.
The molecular framework of 2-Bromo-2-(4-nitrophenyl)acetonitrile (C8H5BrN2O2) is characterized by a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, bromine substitution. In reversed-phase chromatography, its retention is governed primarily by the protonation state of its nitrogen-containing groups, which provides a practical basis for HPLC-UV/DAD or LC-MS method development. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
As a certified reference material (CRM), 2-Bromo-2-(4-nitrophenyl)acetonitrile meets the metrological traceability requirements of ISO/IEC 17025 laboratories. Batch-to-batch consistency is monitored via control charts to guarantee comparable assigned values across lots.
Physical & Chemical Properties
| Molecular Formula | C8H5BrN2O2 |
| Molecular Weight | 241.04 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 sealed and dry, 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; Hygroscopic; reseal immediately after opening; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 7.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1968 |
| Halogen Content | Br-containing |
| Nitrogen Atoms | 2 |
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- 1H-Pyrrole-2,4-dicarboxylic Acid, 1-(2-bromoethyl)-, 2,4-dimethyl Ester (CAS 929017-77-6)
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- 2-Chloro-N,N-diethyl-5-nitrobenzamide (CAS 67272-98-4)
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