2,6-Dichlorophenylisothiocyanate 2,6-dichlorophenyl isothiocyanate 1,3-dichloro-2-isothiocyanatobenzene 6590-95-0 CAS 6590-95-0
| CAS No. | 6590-95-0 |
| Molecular Formula | C7H9Cl2NS |
| Molecular Weight | 210.12 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
2,6-Dichlorophenylisothiocyanate 2,6-dichlorophenyl isothiocyanate 1,3-dichloro-2-isothiocyanatobenzene 6590-95-0 (CAS 6590-95-0) is a high-purity analytical reference standard with the molecular formula C7H9Cl2NS and a molecular weight of 210.12 g/mol.
Based on its molecular formula C7H9Cl2NS, 2,6-Dichlorophenylisothiocyanate 2,6-dichlorophenyl isothiocyanate 1,3-dichloro-2-isothiocyanatobenzene 6590-95-0 contains a nitrile group, sulfur-containing functionality, chlorine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 210.12 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
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 | C7H9Cl2NS |
| Molecular Weight | 210.12 g/mol |
| 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.) | 1958 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 1 |
| Sulfur Atoms | 1 |
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