3-(Isoxazol-3-yl)aniline hydrochloride CAS 2138236-02-7
| CAS No. | 2138236-02-7 |
| Molecular Formula | C9H8N2O |
| Molecular Weight | N/A |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 196.63 g/mol gives 3-(Isoxazol-3-yl)aniline hydrochloride distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
3-(Isoxazol-3-yl)aniline hydrochloride (CAS 2138236-02-7), molecular formula C9H8N2OHCl and molecular weight 196.63 g/mol, is a CATO reference standard with documented purity and traceability.
The molecular framework of 3-(Isoxazol-3-yl)aniline hydrochloride (C9H8N2OHCl) is characterized by a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, chlorine substitution. In reversed-phase chromatography, its retention is governed primarily by the protonation state of its nitrogen-containing groups, which provides a practical basis for HPLC-UV/DAD or LC-MS method development. The aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).
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 | C9H8N2O HCl |
| Molecular Weight | 196.63 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 DMSO, DMF, methanol |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light |
| Degree of Unsaturation (DBE) | 6.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1997 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 2 |
Related Isoxazol Standards
- Ethyl 2-(isoxazol-3(2h)-ylideneamino)-2-oxoacetate (CAS 1001634-98-5)
- 1-(Isoxazol-3-yl)ethanamine (CAS 1008985-14-5)
- N-(5-(Isoxazol-5-yl)-1,3,4-oxadiazol-2-yl)-1,5-dimethyl-1H-pyrazole-3-carboxamide (CAS 1013826-11-3)
- Methyl 3-(isoxazol-3-ylmethyl)-2-oxo-2,3-dihydrobenzo[d]oxazole-5-carboxylate (CAS 1020243-01-9)
- 2-(5-(Isoxazol-3-ylmethylene)-4-oxo-2-thioxothiazolidin-3-yl)acetic acid (CAS 1022-55-5)
- Isoxazol-4-ylmethanol (CAS 102790-36-3)
- 3-Isoxazol-4-yl-propan-1-ol (CAS 10421-09-7)
- 2-isoxazol-5-yl-4-methylphenol (CAS 104516-57-6)
Recommended Standards
- 2-Propylthio-5-trifluoromethylpyridine-3-boronic acid (CAS 1256345-56-8)
- (4S,5R)-4-(aminomethyl)-5-(1,5-dimethyl-1H-pyrazol-4-yl)-1-methylpyrrolidin-2-one (CAS 1808324-17-5)
- (1-ethyl-1H-1,2,3-triazol-4-yl)methanamine hydrochloride (CAS 1955548-17-0)
- (1,5-Cyclooctadiene)ruthenium chloride (CAS 50982-13-3)
- tert-Butyl 2-ethynyl-6,7-dihydrofuro[3,2-c]pyridine-5(4H)-carboxylate (CAS 1774904-41-4)
- 1-((Phenylthio)methyl)cyclopentan-1-ol (CAS 101704-18-1)
- 5-(Benzyloxy)-2-(prop-2-yn-1-yl)pyridine (CAS 1260671-71-3)
- 4-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)-cyclohexanecarboxylic acid (CAS 344870-52-6)
- 1-(Benzo[d]thiazol-2-yl)azetidin-3-ol (CAS 1342777-72-3)
- Semaglutide Impurity 133 (CAS CATO-C4X-2226133)
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