3-Chloro-4-methylisothiazole CAS 1072-56-6
| CAS No. | 1072-56-6 |
| Molecular Formula | C4H4ClNS |
| Molecular Weight | 133.60 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
3-Chloro-4-methylisothiazole (CAS 1072-56-6) is a high-purity analytical reference standard with the molecular formula C4H4ClNS and a molecular weight of 133.60 g/mol.
The molecular framework of 3-Chloro-4-methylisothiazole (C4H4ClNS) is characterized by a nitrile group, sulfur-containing functionality, chlorine 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.
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 | C4H4ClNS |
| Molecular Weight | 133.60 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.) | 1957 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 1 |
| Sulfur Atoms | 1 |
Related Chloro Standards
- 2-Chloro-1,3-dimethyl-1H-imidazol-3-ium chloride (CAS 125376-11-6)
- 5-Chloro-4-methylthiazole (CAS 125402-79-1)
- 3-Chloro-5-methylisothiazole (CAS 14217-67-5)
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Recommended Standards
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- 3-(Chloromethyl)isothiazole (CAS 1246549-42-7)
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- 53598-88-2 (+/-)-4-(Chloromethyl)-4-methylazetidin-2-one MFCD19232808 (CAS 53598-88-2)
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- 5,6-Dimethyl-4,5,6,7-tetrahydro-1H-1,3-benzodiazole (CAS 26751-37-1)
- 5Bromo-3-phenoxypyrazin-2-amine (CAS 548793-12-0)
- Cyclopeptide-5 (CAS 197172-76-2)
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