N-(5-(5-chlorobenzo[d]oxazol-2-yl)-2-methylphenyl)-3-methyl-4-nitrobenzamide CAS 400740-94-5
| CAS No. | 400740-94-5 |
| Molecular Formula | C22H16ClN3O4 |
| Molecular Weight | 421.83 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of N-(5-(5-chlorobenzo[d]oxazol-2-yl)-2-methylphenyl)-3-methyl-4-nitrobenzamide is closely related to a flavonoid core, an amide group, a hydroxyl group, an ether linkage, chlorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
N-(5-(5-chlorobenzo[d]oxazol-2-yl)-2-methylphenyl)-3-methyl-4-nitrobenzamide (CAS 400740-94-5) is a high-purity analytical reference standard with the molecular formula C22H16ClN3O4 and a molecular weight of 421.83 g/mol.
Structurally, N-(5-(5-chlorobenzo[d]oxazol-2-yl)-2-methylphenyl)-3-methyl-4-nitrobenzamide (C22H16ClN3O4) contains a flavonoid core, an amide group, a hydroxyl group, an ether linkage, chlorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 16.0, corresponding to approximately 16 ring(s) or double-bond equivalent(s). With a molecular weight of 421.83 g/mol, it falls into the moderately-high-molecular-weight range. The presence of an aromatic ring or conjugated system gives the compound characteristic absorption bands in the UV-Vis region, making it well suited to UV or diode-array detection (DAD).
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 | C22H16ClN3O4 |
| Molecular Weight | 421.83 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor) |
| Purity | 97%+ |
| Storage | Store in a cool place (≤25°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) | 16.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 3 |
Related N Standards
- 3-(6-Chlorobenzo[d]thiazol-2-yl)-1-(2,4-dichlorobenzyl)pyridin-2(1H)-one (CAS 400075-86-7)
- Ethyl 2-(3-chlorobenzo[b]thiophene-2-carboxamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate (CAS 313960-53-1)
- N-(5-Chlorobenzo[d][1,3]dioxol-4-yl)-7-fluoro-5-((tetrahydro-2H-pyran-4-yl)oxy)quinazolin-4-amine (CAS 379230-38-3)
- (((5-Chlorobenzo[d]thiazol-2-yl)sulfinyl)methyl)diphenylphosphine oxide (CAS 1956340-17-2)
- N-(5-(5-Chlorobenzo[d]oxazol-2-yl)-2-methylphenyl)-3-nitrobenzamide (CAS 313953-44-5)
- N-(3-(6-Chlorobenzo[d]oxazol-2-yl)-5-methylphenyl)-4-ethoxybenzamide (CAS 590396-53-5)
- 3-(5-Chlorobenzo[d]oxazol-2-yl)-N-(3-(trifluoromethyl)benzyl)pyridin-2-amine (CAS 339102-07-7)
- 3-(3-Chlorobenzo[b]thiophene-2-carboxamido)-N-phenylbenzofuran-2-carboxamide (CAS 620581-66-0)
Recommended Standards
- N-(2-chloro-5-(5-methylbenzo[d]oxazol-2-yl)phenyl)-3-methyl-4-nitrobenzamide (CAS 301354-47-2)
- Avanafil Impurity 129 (CAS CATO-C4X-1118129)
- N-(2-((3-chloro-5-(trifluoromethyl)pyridin-2-yl)thio)-1-methyl-1H-imidazol-5-yl)morpholine-4-carboxamide (CAS 303151-94-2)
- Tegoprazan Impurity 22 (CAS CATO-C4X-229722)
- 5,5'-Diisopropyl-3,3'-dimethyl-[2,2'-binaphthalene]-1,1',6,6',7,7'-hexayl hexaacetate (CAS 105201-55-6)
- 1-(4-(Methylthio)phenyl)propan-2-ol (CAS 1021927-90-1)
- (E)-3-(4,5-dimethoxy-2-nitrophenyl)-N-(4-fluorophenyl)acrylamide (CAS 331461-79-1)
- 6-Chloro-5-nitro-1H-indazole-3-carboxylic acid (CAS 1245645-05-9)
- Iguratimod Impurity 79 (CAS CATO-C4X-182679)
- (2S,5S)-5-Hydroxypiperidine-2-carboxylic Acid (CAS 63088-78-8)
- 2-(2,4-Dichlorophenyl)-2-(6-hydroxypyridazin-3-yl)acetonitrile (CAS 338779-01-4)
- 3-Cyclopropyl-2,6-difluorophenylboronic acid (CAS 1451393-02-4)
- 9-Chloro-3-methylacridine (CAS 16492-10-7)
- Neuropeptide S (rat) (CAS 412938-75-1)
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