4-Bromo-2,6-diethylphenyl isothiocyanate CAS 1000577-77-4
| CAS No. | 1000577-77-4 |
| Molecular Formula | C11H12BrNS |
| Molecular Weight | 270.19 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
4-Bromo-2,6-diethylphenyl isothiocyanate (CAS 1000577-77-4) is a high-purity analytical reference standard with the molecular formula C11H12BrNS and a molecular weight of 270.19 g/mol.
Based on its molecular formula C11H12BrNS, 4-Bromo-2,6-diethylphenyl isothiocyanate contains a nitrogen-containing heterocyclic scaffold, a nitrile group, sulfur-containing functionality, bromine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 270.19 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. 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).
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 | C11H12BrNS |
| Molecular Weight | 270.19 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep tightly closed to prevent evaporation |
| Solubility (reference) | Soluble in chloroform, dichloromethane, ethyl acetate |
| 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.) | 1988 |
| Halogen Content | Br-containing |
| Nitrogen Atoms | 1 |
| Sulfur Atoms | 1 |
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- N-2-(Hydroxyethyl)-L-valine (CAS 101769-73-7)
- Semaglutide impurity 251 (CAS CATO-C4X-2226251)
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