2-Chloro-1-(3-methylisoxazol-4-yl)ethan-1-one CAS 2006435-27-2
| CAS No. | 2006435-27-2 |
| Molecular Formula | C6H6ClNO2 |
| Molecular Weight | 159.57 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.
2-Chloro-1-(3-methylisoxazol-4-yl)ethan-1-one (CAS 2006435-27-2), molecular formula C6H6ClNO2 and molecular weight 159.57 g/mol, is a CATO reference standard with documented purity and traceability.
Based on its molecular formula C6H6ClNO2, 2-Chloro-1-(3-methylisoxazol-4-yl)ethan-1-one 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. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
As a certified reference material (CRM), 2-Chloro-1-(3-methylisoxazol-4-yl)ethan-1-one 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 | 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.) | 1996 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 1 |
Related Chloro Standards
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- 6-Chloro-4-methoxypyridine-2(1H)-one (CAS 108279-65-8)
- 3-Chloro-5-methoxypyridine 1-oxide (CAS 110038-48-7)
- 5-Chloro-1-methyl-1H-pyrazole-4-carboxamide (CAS 110763-18-3)
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Recommended Standards
- 2-Amino-6-chloro-3-methylpyrimidin-4(3H)-one (CAS 874-20-4)
- 2-Chloro-4-methoxy-6-methyl-1,3,5-triazine (CAS 27676-51-3)
- 2-Amino-6-(chloromethyl)pyrimidin-4(1H)-one (CAS 92311-33-6)
- 2-Chloro-4-methoxypyridine 1-oxide (CAS 38608-87-6)
- 3-(2-(Pyrrolidin-1-yl)ethoxy)benzonitrile (CAS 938366-34-8)
- (r)-2-Amino-2-(2-(trifluoromethyl)phenyl)ethan-1-ol (CAS 1213078-55-7)
- 2,4-Dichloro-6-(3-methoxyphenyl)pyrimidine (CAS 850250-73-6)
- 2-(2-Chlorophenyl)-2H-tetrazole-5-carboxylic acid (CAS 1368525-24-9)
- (E)-4-{4-[(TERT-BUTYLAMINO)CARBONYL]ANILINO}-4-OXO-2-BUTENOIC ACID (CAS 940453-79-2)
- 2-(Chloromethyl)-6-nitro-1h-1,3-benzodiazole hydrochloride (CAS 1092698-81-1)
- n-((Tetrahydrofuran-2-yl)methyl)furan-2-carboxamide (CAS 349644-12-8)
- 4-(Aminomethyl)-3-(difluoromethyl)pyridine-2,5-diamine (CAS 1806783-28-7)
- Ethyl 2-(p-tolyl)quinazoline-4-carboxylate (CAS 1628638-39-0)
- Semaglutide Impurity 149 (CAS CATO-C4X-2226149)
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