5-Isoxazoleacetyl chloride, 3-methyl- (9CI) 62759-29-9 CAS 62759-29-9
| CAS No. | 62759-29-9 |
| Molecular Formula | C6H6ClNO2 |
| Molecular Weight | 159.57 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Based on its molecular formula C6H6ClNO2, 5-Isoxazoleacetyl chloride, 3-methyl- (9CI) 62759-29-9 contains an amide group, a carboxylic acid group, a hydroxyl group, an ether linkage, chlorine substitution, an aromatic ring system; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 159.57 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.
CATO supplies 5-Isoxazoleacetyl chloride, 3-methyl- (9CI) 62759-29-9 (CAS 62759-29-9), a certified reference material (molecular formula C6H6ClNO2, MW 159.57 g/mol) for analytical method development and quality control.
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
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 | C6H6ClNO2 |
| Molecular Weight | 159.57 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 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 |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1974 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 1 |
Recommended Standards
- 52320-58-8 5-Ethyl-1,2-oxazole-3-carbonyl chloride DTXSID40602148 (CAS 52320-58-8)
- Chloridazon-methyl-desphenyl (CAS 17254-80-7)
- 4-Amino-6-chloro-2-methoxypyrimidine 3286-55-3 6-Chloro-2-methoxypyrimidin-4-amine (CAS 3286-55-3)
- 6-(Chloromethyl)-1,3,5-triazine-2,4-diamine (CAS 10581-62-1)
- 2,6-Dibromo-3-phenylpyridine (CAS 102249-44-5)
- (S)-1-(2-ethylphenyl)-2-methoxyethan-1-amine (CAS 1269803-78-2)
- 2,3-Dichloroquinoxaline-6,7-diol (CAS 1790-94-9)
- (E)-4-(2-(2-(4-methoxyphenyl)acetyl)hydrazinyl)-4-oxobut-2-enoic acid (CAS 314765-36-1)
- 2-Amino-1-(benzo[d][1,3]dioxol-5-yl)ethan-1-one hydrochloride (CAS 38061-34-6)
- trans-Cyclobutane-1,3-dicarboxylic acid (CAS 7439-33-0)
- 7-Chloro-4-fluoro-2,3-dihydrobenzofuran-5-amine (CAS 2644018-96-0)
- 2-(4-tert-Butylphenyl)-7-chloro-8-methylquinoline-4-carbonyl chloride (CAS 1160256-17-6)
- 4-Chloro-2-(trifluoromethyl)benzonitrile (CAS 320-41-2)
- Liraglutide Impurity 13 TFA Salt (CAS CATO-C4X-199213)
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