N-(Benzo[d][1,3]dioxol-5-ylmethyl)-4-chloro-N-(4-fluorophenyl)-3-nitrobenzamide CAS 648409-37-4
| CAS No. | 648409-37-4 |
| Molecular Formula | C21H14ClFN2O5 |
| Molecular Weight | 428.80 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of N-(Benzo[d][1,3]dioxol-5-ylmethyl)-4-chloro-N-(4-fluorophenyl)-3-nitrobenzamide is closely related to a flavonoid core, an amide group, a hydroxyl group, an ether linkage, fluorine/chlorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
N-(Benzo[d][1,3]dioxol-5-ylmethyl)-4-chloro-N-(4-fluorophenyl)-3-nitrobenzamide (CAS 648409-37-4) is a high-purity analytical reference standard with the molecular formula C21H14ClFN2O5 and a molecular weight of 428.80 g/mol.
Structurally, N-(Benzo[d][1,3]dioxol-5-ylmethyl)-4-chloro-N-(4-fluorophenyl)-3-nitrobenzamide (C21H14ClFN2O5) contains a flavonoid core, an amide group, a hydroxyl group, an ether linkage, fluorine/chlorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 15.0, corresponding to approximately 15 ring(s) or double-bond equivalent(s). With a molecular weight of 428.80 g/mol, it falls into the moderately-high-molecular-weight range. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
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 | C21H14ClFN2O5 |
| Molecular Weight | 428.80 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor, low volatility) |
| 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) | 15.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1985 |
| Halogen Content | F/Cl-containing |
| Nitrogen Atoms | 2 |
Related N Standards
- n-(Benzo[d][1,3]dioxol-5-yl)-4-(3-chloro-5-(trifluoromethyl)pyridin-2-yl)piperazine-1-carboxamide (CAS 866131-92-2)
- 2-((2-(Benzo[d][1,3]dioxol-5-yl)-2-oxoethyl)thio)-3-ethyl-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one (CAS 618427-87-5)
- 2-((3-(1H-benzo[d]imidazol-2-yl)pyridin-2-yl)thio)-N-(2-(trifluoromethyl)phenyl)acetamide (CAS 838100-87-1)
- Methyl 4-(4-(benzo[d][1,3]dioxol-5-ylcarbamoyl)piperazin-1-yl)-3-nitrobenzoate (CAS 692732-89-1)
- 2-((3-(1H-benzo[d]imidazol-2-yl)pyridin-2-yl)thio)-N-(2,3-dichlorophenyl)acetamide (CAS 838100-86-0)
- 4-(2-(2-(Benzo[b]thiophen-3-yl)-9-isopropyl-9H-purin-6-ylamino)ethyl)phenol (CAS 1227633-49-9)
- N-(3-(Benzo[d]thiazol-2-yl)phenyl)-2-(quinolin-2-ylthio)acetamide (CAS 670273-98-0)
- 2-(Benzo[d][1,3]dioxol-5-yl)-5-(((2-(4-methoxyphenyl)-4,5-dihydrothiazol-5-yl)methyl)thio)-1,3,4-oxadiazole (CAS 745033-86-7)
Recommended Standards
- 4,6,7-Tribromo-1,3-dioxo-1,3-dihydroisobenzofuran-5-carboxylic acid (CAS 96680-46-5)
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- 4-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy}-N-phenylbenzene-1-sulfonamide (CAS 338775-45-4)
- Bis[(±)-2-ethylhexyl] Phthalate-d38 (CAS 352431-42-6)
- 1-Chloro-4-(4-chlorobutoxy)benzene (CAS 79096-47-2)
- 1-(Tetrahydro-2H-pyran-2-yl)-3,5-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole (CAS 1256360-29-8)
- Ethyl furan-2-carboxylate (CAS 614-99-3)
- Oseltamivir Impurity 29 (CAS CATO-C4X-172029)
- Hexahydro-1h-pyrrolo[3,2-c]pyridin-4(2H)-one (CAS 54415-81-5)
- 2-(Trifluoromethyl)-1h-1,3-benzodiazol-6-amine hydrochloride (CAS 1185303-39-2)
- [2-(butan-2-yloxy)phenyl]boronic acid (CAS 1313760-87-0)
- tert-Butyl (R)-(2-(4-bromophenyl)propyl)carbamate (CAS 211315-53-6)
- (R)-2-Bromo-1-phenylethanol (CAS 73908-23-3)
- Liraglutide (14-31)TFA Salt (CAS CATO-C4X-19927)
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