4-(Chloromethyl)-2-iodothiazole CAS 5198-78-7
| CAS No. | 5198-78-7 |
| Molecular Formula | C4H3ClINS |
| Molecular Weight | 259.50 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of 4-(Chloromethyl)-2-iodothiazole is closely related to a nitrile group, sulfur-containing functionality, chlorine/iodine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
4-(Chloromethyl)-2-iodothiazole (CAS 5198-78-7), molecular formula C4H3ClINS and molecular weight 259.50 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, 4-(Chloromethyl)-2-iodothiazole (C4H3ClINS) contains a nitrile group, sulfur-containing functionality, chlorine/iodine substitution. The molecule exhibits a degree of unsaturation (DBE) of 3.0, corresponding to approximately 3 ring(s) or double-bond equivalent(s). With a molecular weight of 259.50 g/mol, it falls into the medium-molecular-weight range. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
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 | C4H3ClINS |
| Molecular Weight | 259.50 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/I-containing |
| Nitrogen Atoms | 1 |
| Sulfur Atoms | 1 |
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