5-Chloro-3-(4-methoxy-3-nitrobenzyl)benzo[d]oxazol-2(3H)-one CAS 904005-18-1
| CAS No. | 904005-18-1 |
| Molecular Formula | C15H11ClN2O5 |
| Molecular Weight | 334.71 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.
5-Chloro-3-(4-methoxy-3-nitrobenzyl)benzo[d]oxazol-2(3H)-one (CAS 904005-18-1), molecular formula C15H11ClN2O5 and molecular weight 334.71 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, 5-Chloro-3-(4-methoxy-3-nitrobenzyl)benzo[d]oxazol-2(3H)-one (C15H11ClN2O5) contains a flavonoid core, an amide group, a hydroxyl group, an ether linkage, chlorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 11.0, corresponding to approximately 11 ring(s) or double-bond equivalent(s). With a molecular weight of 334.71 g/mol, it falls into the moderately-high-molecular-weight range. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
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 | C15H11ClN2O5 |
| Molecular Weight | 334.71 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor) |
| 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; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 11.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1987 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 2 |
Related Chloro Standards
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Recommended Standards
- (2R)-N-{[2-chloro-3-(trifluoromethyl)phenyl]methyl}-1-methyl-5-oxopyrrolidine-2-carboxamide (CAS 1001390-06-2)
- 1,1,1,3,5,5,5-Heptamethyl-3-octyltrisiloxane (CAS 17955-88-3)
- 3-(4-Chlorophenyl)-1-(2,4-difluorophenyl)-1h-pyrazole-5-carboxylic acid (CAS 618102-59-3)
- 85274-48-2 6-Bromo-2-chloro-3-phenylquinoline DTXSID30526960 (CAS 85274-48-2)
- (4S,4'S)-2,2'-(1,3-Bis(4-(tert-butyl)phenyl)propane-2,2-diyl)bis(4-methyl-4,5-dihydrooxazole) (CAS 2757082-32-7)
- 2-(((1-Methylpiperidin-3-yl)methyl)amino)acetic acid (CAS 1249650-37-0)
- 1-(1H-Imidazol-2-yl)-3-methylbutan-1-one (CAS 62874-47-9)
- 2-((4-Ethoxyphenyl)amino)-2-oxoethyl 5-bromonicotinate (CAS 729564-97-0)
- Encorafenib Impurity 12 (CAS CATO-C4X-32412)
- 5-Bromo-3-methyl-1H-pyrazole-4-carboxylic acid (CAS 2510868-43-4)
- 1-Isopropyl-3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2(1H)-one (CAS 1706754-37-1)
- N-[[[(1S)-1-Carboxy-5-[[(6-fluoro-3-pyridinyl)carbonyl]amino]pentyl]amino]carbonyl]-L-glutamic Acid (CAS 1423758-00-2)
- 2-(2,3-Dimethylphenyl)-2-hydroxyacetic acid (CAS 859198-93-9)
- Tirzepatide Impurity 38 (CAS CATO-C4X-324038)
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