3-Chloro-4-isothiazolecarboxylic Acid CAS 933690-30-3
| CAS No. | 933690-30-3 |
| Molecular Formula | C4H2ClNO2S |
| Molecular Weight | 163.58 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
3-Chloro-4-isothiazolecarboxylic Acid (CAS 933690-30-3), molecular formula C4H2ClNO2S and molecular weight 163.58 g/mol, is a CATO reference standard with documented purity and traceability.
Based on its molecular formula C4H2ClNO2S, 3-Chloro-4-isothiazolecarboxylic Acid contains an amide group, a sulfone group, a carboxylic acid group, a hydroxyl group, an ether linkage, chlorine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 163.58 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.
As a certified reference material (CRM), 3-Chloro-4-isothiazolecarboxylic Acid meets the metrological traceability requirements of ISO/IEC 17025 laboratories. Batch-to-batch consistency is monitored via control charts to guarantee comparable assigned values across lots.
Physical & Chemical Properties
| Molecular Formula | C4H2ClNO2S |
| Molecular Weight | 163.58 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, water (slightly soluble) |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 4.0 |
| UV Absorption | UV-absorbing |
| CAS Registry Year (est.) | 1987 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 1 |
| Sulfur Atoms | 1 |
Related Chloro Standards
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- 4-Chloro-1,3-thiazole-5-carboxylic acid (CAS 444909-59-5)
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Recommended Standards
- 2-Chlorothiazole-4-carboxylic Acid (CAS 5198-87-8)
- 5-Chlorothiazole-4-carboxylic acid (CAS 1505987-37-0)
- 2-Chlorothiazole-5-carboxylic acid (CAS 101012-12-8)
- 3-Chloroisothiazole-5-carboxylic acid (CAS 1368382-15-3)
- Methyl 6-Bromoquinoline-3-carboxylate (CAS 1220418-77-8)
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- 5-Isopropyl-4-methylthiazol-2-amine (CAS 18193-59-4)
- 2-((3,3,3-Trifluoropropyl)thio)ethanamine (CAS 1343672-04-7)
- Benzyl ((S)-1-((S)-2-aminopropanoyl)pyrrolidin-3-yl)(methyl)carbamate (CAS 1401666-56-5)
- 3-(chloromethyl)-1-methyl-1,2,4-triazole (CAS 233278-54-1)
- (4-(Pyrrolidin-1-ylsulfonyl)phenyl)methanamine (CAS 784997-49-5)
- 5-Chloro-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole (CAS 408339-02-6)
- Methyl 2-((3-(5-chloro-2-hydroxyphenyl)propyl)amino)acetate (CAS 1629041-82-2)
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