5-Chloro-4-methylisoxazole-3-carboxylic acid CAS 3357-01-5
| CAS No. | 3357-01-5 |
| Molecular Formula | C5H4ClNO3 |
| Molecular Weight | 161.54 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Under current pharmacopoeial and regulatory frameworks, quality-control requirements for this class of reference material explicitly involve the control of targets including 5-Chloro-4-methylisoxazole-3-carboxylic acid.
5-Chloro-4-methylisoxazole-3-carboxylic acid (CAS 3357-01-5), molecular formula C5H4ClNO3 and molecular weight 161.54 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, 5-Chloro-4-methylisoxazole-3-carboxylic acid (C5H4ClNO3) contains an amide group, a carboxylic acid group, a hydroxyl group, an ether linkage, chlorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 4.0, corresponding to approximately 4 ring(s) or double-bond equivalent(s). With a molecular weight of 161.54 g/mol, it falls into the medium-molecular-weight range. 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 | C5H4ClNO3 |
| Molecular Weight | 161.54 g/mol |
| Appearance | Off-white to pale yellow crystalline powder. (slight halide-like odor, faint amine-like odor) |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep sealed and dry, keep tightly closed to prevent evaporation |
| Solubility (reference) | Soluble in methanol, ethanol, DMSO, water |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Hygroscopic; reseal immediately after opening; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 4.0 |
| UV Absorption | UV-absorbing |
| CAS Registry Year (est.) | 1957 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 1 |
Related Chloro Standards
- 4-Chloro-3-methylisoxazole-5-carboxylic acid (CAS 103912-63-6)
- 2-Chloro-5-methyloxazole-4-carboxylic acid (CAS 1240600-64-9)
- 2-Chloro-4-methyloxazole-5-carboxylic acid (CAS 1558276-80-4)
- 3-Chloro-5-methylisoxazole-4-carboxylic acid (CAS 16880-29-8)
- 3-chloro-N-hydroxyfuran-2-carboxamide (CAS 1849273-07-9)
- 4-Chloro-1,3-dihydroxypyridin-2(1H)-one (CAS 19352-46-6)
- 3-Chloro-4-methylisoxazole-5-carboxylic acid (CAS 272773-09-8)
- 4-Chloro-5-methylisoxazole-3-carboxylic acid (CAS 524729-12-2)
Recommended Standards
- 5-Chloro-3-methylisoxazole-4-carboxylic acid (CAS 3356-99-8)
- 5-Methoxyisoxazole-3-carbonyl chloride (CAS 53064-59-8)
- 5-(Chloromethyl)isoxazole-4-carboxylic acid (CAS 870704-27-1)
- Methyl 2-chlorooxazole-4-carboxylate (CAS 934236-35-8)
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