3-Nitro-4-(p-tolyloxy)benzyl 3,4-dichlorobenzoate CAS 338960-69-3
| CAS No. | 338960-69-3 |
| Molecular Formula | C21H15Cl2NO5 |
| Molecular Weight | 432.25 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The molecular framework of 3-Nitro-4-(p-tolyloxy)benzyl 3,4-dichlorobenzoate (C21H15Cl2NO5) is characterized by a flavonoid core, an amide group, a hydroxyl group, an ether linkage, chlorine substitution. In reversed-phase chromatography, its retention is governed primarily by the protonation state of its nitrogen-containing groups, which provides a practical basis for HPLC-UV/DAD or LC-MS method development. 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).
3-Nitro-4-(p-tolyloxy)benzyl 3,4-dichlorobenzoate (CAS 338960-69-3) is a high-purity analytical reference standard with the molecular formula C21H15Cl2NO5 and a molecular weight of 432.25 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.
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 | C21H15Cl2NO5 |
| Molecular Weight | 432.25 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor, low volatility) |
| Purity | 97%+ |
| Storage | Store at room temperature, protect from light, keep sealed and dry |
| Solubility (reference) | Soluble in methanol, acetonitrile, DMSO, water (slightly soluble) |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 14.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 1 |
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Recommended Standards
- 3-Ethoxy-5-iodo-4-(1-naphthylmethoxy)benzaldehyde (CAS 443125-48-2)
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- 2-({1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-1H-imidazol-2-yl}sulfanyl)-1-(4-chlorophenyl)ethan-1-one (CAS 339276-71-0)
- Methyl 1-(2-Iodophenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate (CAS 5101-14-4)
- 2-(4-Cyclopropyl-2,6-diisopropylphenyl)acetic acid (CAS 2309453-09-4)
- D-Arabino-Hex-1-enitol, 1,2-dideoxy-4-O-[3-(2,2-dimethyl-1-oxopropoxy)propyl]-, 3-(2,2-dimethylpropanoate) (CAS 1204834-17-2)
- 2-Methylquinoline-4,7-diol (CAS 90924-19-9)
- 1-(4-Methylpiperidin-1-yl)butan-2-ol (CAS 1178322-68-3)
- Goserelin Impurity 19 Acetate (CAS CATO-C4X-192019)
- 6-(3,5-Dichlorophenyl)-6-oxohexanoic acid (CAS 898765-51-0)
- 2-(3-Nitrophenyl)-4-phenylthiazole (CAS 1387473-42-8)
- 2-Amino-N-(2,4-dichlorophenyl)-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide (CAS 590351-13-6)
- (4s)-2-(Benzo[d][1,3]dioxol-5-yl)thiazolidine-4-carboxylic acid (CAS 1265908-15-3)
- Semaglutide impurity 87 (CAS CATO-C4X-222687)
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