3-Methyl-5-nitrobenzo[d]isoxazole CAS 63770-48-9
| CAS No. | 63770-48-9 |
| Molecular Formula | C8H6N2O3 |
| Molecular Weight | 178.14 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Based on its molecular formula C8H6N2O3, 3-Methyl-5-nitrobenzo[d]isoxazole 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 178.14 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.
3-Methyl-5-nitrobenzo[d]isoxazole (CAS 63770-48-9) is a high-purity analytical reference standard with the molecular formula C8H6N2O3 and a molecular weight of 178.14 g/mol.
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), 3-Methyl-5-nitrobenzo[d]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 | C8H6N2O3 |
| Molecular Weight | 178.14 g/mol |
| Appearance | Off-white to pale yellow crystalline powder. (faint amine-like odor) |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep sealed and dry |
| Solubility (reference) | Soluble in methanol, ethanol, DMSO |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Hygroscopic; reseal immediately after opening |
| Degree of Unsaturation (DBE) | 7.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1975 |
| Nitrogen Atoms | 2 |
Related Methyl Standards
- 2-Methyl-7-nitrobenzo[d]oxazole (CAS 74255-38-2)
- 6-Nitrobenzo[c][1,2]oxaborol-1(3H)-ol (CAS 118803-40-0)
- 7-Nitrobenzo[c][1,2]oxaborol-1(3H)-ol (CAS 1268336-14-6)
- 4-Nitrobenzo[c][1,2]oxaborol-1(3H)-ol (CAS 1285533-35-8)
- 5-Nitrobenzo[c][1,2]oxaborol-1(3H)-ol (CAS 875816-94-7)
- 2-Nitrobenzo[d]oxazol-4-amine (CAS 1804086-90-5)
- 4-Nitrobenzo[d]isoxazol-3-amine (CAS 190011-76-8)
- 5-Nitrobenzo[c]isoxazol-3-amine (CAS 94144-40-8)
Recommended Standards
- 3-Methyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxylic acid (CAS 929972-88-3)
- 3-Nitro-6,7-dihydro-5H-cyclopenta[b]pyridin-5-one (CAS 87883-19-0)
- 3-Methoxy-5-nitrobenzonitrile (CAS 33224-19-0)
- 3-Oxo-1,3-dihydro-2-benzofuran-1-carboxylic acid (CAS 708-14-5)
- 1-(3,4-Dihydroquinoxalin-1(2H)-yl)ethan-1-one (CAS 6639-92-5)
- Ethyl 5-fluoro-2-oxo-1,2-dihydropyridine-3-carboxylate (CAS 1214325-45-7)
- 7-Bromo-2-chloro-[1,2,4]triazolo[1,5-a]pyridine (CAS 1784300-41-9)
- N-(2-(Allyloxy)benzyl)ethanamine (CAS 869942-52-9)
- 2-(2-Bromophenoxy)pyridine-3-carboxylic acid (CAS 1016873-07-6)
- 2-(Dimethylamino)-2-methylpropane-1-thiol (CAS 98455-24-4)
- (2S,3S,4R,5S,6S)-6-methyltetrahydro-2H-pyran-2,3,4,5-tetraol (CAS 13224-93-6)
- Ethyl 2-(4-(2-bromoacetyl)phenyl)acetate (CAS 55453-49-1)
- Artemisinin Impurity 3 (CAS CATO-C4X-20123)
- Tirzepatide Impurity 25 X TFA Salt (CAS CATO-C4X-324025)
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