5-(3-Chlorophenyl)isoxazole CAS 7064-34-8
| CAS No. | 7064-34-8 |
| Molecular Formula | C9H6ClNO |
| Molecular Weight | 179.60 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 179.60 g/mol gives 5-(3-Chlorophenyl)isoxazole distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
5-(3-Chlorophenyl)isoxazole (CAS 7064-34-8), molecular formula C9H6ClNO and molecular weight 179.60 g/mol, is a CATO reference standard with documented purity and traceability.
Based on its molecular formula C9H6ClNO, 5-(3-Chlorophenyl)isoxazole contains a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, chlorine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 179.60 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.
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
As a certified reference material (CRM), 5-(3-Chlorophenyl)isoxazole 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 | C9H6ClNO |
| Molecular Weight | 179.60 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 |
| Degree of Unsaturation (DBE) | 7.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1959 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 1 |
Related Chlorophenyl Standards
- 5-(4-chlorophenyl)oxazole (CAS 1008-94-2)
- 2-(2-Chlorophenyl)oxazole (CAS 62881-98-5)
- 2-(3-Chlorophenyl)-3-oxopropanenitrile (CAS 66154-58-3)
- 2-(3-Chlorophenyl)oxazole (CAS 62882-06-8)
- 2-(4-Chlorophenyl)-3-oxopropanenitrile (CAS 62538-21-0)
- 2-(4-Chlorophenyl)acetyl cyanide (CAS 924633-52-3)
- 2-(4-Chlorophenyl)oxazole (CAS 46047-24-9)
- 3-(2-Chlorophenyl)isoxazole (CAS 25742-65-8)
Recommended Standards
- 5-(2-Chlorophenyl)isoxazole (CAS 874773-63-4)
- 5-(3-Chlorophenyl)oxazole (CAS 89808-76-4)
- 5-(2-Chlorophenyl)-1,3-oxazole (CAS 89808-74-2)
- 5-(4-Chlorophenyl)isoxazole (CAS 7064-32-6)
- 2-(6-chloro-5-methyl-1,3-benzoxazol-2-yl)ethanamine,HCl (CAS 1119450-64-4)
- 1-Fluoro-3-(prop-2-en-1-yl)benzene (CAS 30984-53-3)
- 6-Iodo-4-methylpyridine-2-sulfonyl chloride (CAS 1393558-46-7)
- 5-amino-6-(1-ethyl-1H-pyrazol-5-yl)piperidin-2-one (CAS 1601078-84-5)
- Di-n-heptyltin dichloride (CAS 74340-12-8)
- 2-(Methoxymethyl)-4-propylpyrimidine-5-carboxylic acid (CAS 1250485-32-5)
- 1-[(2-chlorophenyl)carbonyl]piperidin-3-ol (CAS 1090598-03-0)
- NIP 142 (CAS 203002-58-8)
- 2-(4-Ethylbenzylidene)-6-phenyl-2H-thiazolo[3,2-b][1,2,4]triazine-3,7-dione (CAS 606955-91-3)
- Neuropeptide Y (2-36), amide, porcine (CAS 102961-52-4)
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