2-(Isoxazole-5-carboxamido)-6-methylbenzoic acid CAS 696642-44-1
| CAS No. | 696642-44-1 |
| Molecular Formula | C12H10N2O4 |
| Molecular Weight | 246.22 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Based on its molecular formula C12H10N2O4, 2-(Isoxazole-5-carboxamido)-6-methylbenzoic acid contains an amino-acid-derived structure, an amide group, a hydroxyl group, an ether linkage; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 246.22 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 2-(Isoxazole-5-carboxamido)-6-methylbenzoic acid (CAS 696642-44-1), a certified reference material (molecular formula C12H10N2O4, MW 246.22 g/mol) for analytical method development and quality control.
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 | C12H10N2O4 |
| Molecular Weight | 246.22 g/mol |
| Appearance | Pale yellow to yellow crystalline powder |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep sealed and dry |
| Solubility (reference) | Soluble in DMSO, DMF, methanol |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Hygroscopic; reseal immediately after opening |
| Degree of Unsaturation (DBE) | 9.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1985 |
| Nitrogen Atoms | 2 |
Related Isoxazole Standards
- 8-(Isoxazole-5-carbonyl)-2,8-diazaspiro[4.5]decan-3-one (CAS 1482941-33-2)
- 2-(2-(Isoxazole-5-carboxamido)thiazol-4-yl)acetic acid (CAS 1283108-53-1)
- 1-(Isoxazole-3-carbonyl)piperidine-2-carboxylic acid (CAS 1248014-62-1)
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- 4894-23-9 Isoxazole, 4,5-dihydro-3,5-diphenyl- 4,5-Dihydro-3,5-diphenylisoxazole (CAS 4894-23-9)
- Isoxazole, 4-(chloromethyl)-5-methyl-3-phenyl- (CAS 18718-83-7)
- Ethyl 2-(isoxazole-5-carboxamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate (CAS 919860-71-2)
- Isoxazole, 3-bromo-5-methyl- (6CI,7CI,8CI,9CI) (CAS 25741-97-3)
Recommended Standards
- 2-(Benzo[d][1,3]dioxol-5-yl)-4-methyl-1H-imidazole-5-carboxylic acid (CAS 902600-40-2)
- 2,2-Diethoxyacetaldehyde (CAS 5344-23-0)
- 2-(4-Nitro-1h-pyrazol-1-yl)-N-phenylacetamide (CAS 914490-01-0)
- 2,3',4,6-Tetrahydroxybenzophenone (CAS 26271-33-0)
- N-Methyl-3-(pyridin-2-yl)propan-1-amine (CAS 15583-17-2)
- 4-((tert-Butyldimethylsilyl)oxy)-2-fluorobenzaldehyde (CAS 175968-16-8)
- N-(4-acetylphenyl)-2-(4-chloro-2-methylphenoxy)acetamide (CAS 282104-93-2)
- 1-(Difluoromethyl)-1H-imidazole-5-carboxylic acid (CAS 2219371-72-7)
- Ethyl 2-(ethoxymethylene)-4,4,4-trifluoroacetoacetate ethyl 2-ethoxymethylene-4,4,4-trifluoro-3-oxobutyrate ethyl2-(ethoxymethylene)-4,4,4-trifluoro-3-oxobutyrate Ethyl 2-(ethoxymethylene)-4,4,4-trifluoro-3-oxobutyrate Ethyl 3-ethoxy-2-(2,2,2-trifluoroacetyl)acrylate Ethyl ethoxymethylene-3-oxo-4,4,4-trifluorobutyrate 571-55-1 (CAS 571-55-1)
- (1R,2R)-1-amino-1-(thiophen-3-yl)propan-2-ol (CAS 1213044-43-9)
- Diethyl (1-cyano-2-(3,4-dimethoxyphenyl)vinyl)phosphonate (CAS 66359-27-1)
- Berberine Impurity 14 (CAS 2043361-62-0)
- 4-(2H-1,3-Benzodioxol-5-yl)-2-methylpyrimidine (CAS 439108-53-9)
- Semaglutide Impurity 82 (CAS CATO-C4X-222682)
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