1-Bromo-2-chloro-4-isocyanatobenzene CAS 20059-86-3
| CAS No. | 20059-86-3 |
| Molecular Formula | C7H3BrClNO |
| Molecular Weight | 232.46 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.
1-Bromo-2-chloro-4-isocyanatobenzene (CAS 20059-86-3), molecular formula C7H3BrClNO and molecular weight 232.46 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, 1-Bromo-2-chloro-4-isocyanatobenzene (C7H3BrClNO) contains an amide group, a hydroxyl group, an ether linkage, chlorine/bromine substitution, an aromatic ring system. The molecule exhibits a degree of unsaturation (DBE) of 6.0, corresponding to approximately 6 ring(s) or double-bond equivalent(s). With a molecular weight of 232.46 g/mol, it falls into the medium-molecular-weight range. The presence of an aromatic ring or conjugated system gives the compound characteristic absorption bands in the UV-Vis region, making it well suited to UV or diode-array detection (DAD).
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 | C7H3BrClNO |
| Molecular Weight | 232.46 g/mol |
| Appearance | Off-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, water (slightly soluble) |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light |
| Degree of Unsaturation (DBE) | 6.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1962 |
| Halogen Content | Cl/Br-containing |
| Nitrogen Atoms | 1 |
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Recommended Standards
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