Ethyl 3-[(2,6-dichlorophenyl)methyl]-2-oxo-2,3-dihydro-1H-1,3-benzodiazole-1-carboxylate CAS 339013-51-3
| CAS No. | 339013-51-3 |
| Molecular Formula | C17H14Cl2N2O3 |
| Molecular Weight | 365.21 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of Ethyl 3-[(2,6-dichlorophenyl)methyl]-2-oxo-2,3-dihydro-1H-1,3-benzodiazole-1-carboxylate is closely related to a steroid 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.
Ethyl 3-[(2,6-dichlorophenyl)methyl]-2-oxo-2,3-dihydro-1H-1,3-benzodiazole-1-carboxylate (CAS 339013-51-3), molecular formula C17H14Cl2N2O3 and molecular weight 365.21 g/mol, is a CATO reference standard with documented purity and traceability.
The molecular framework of Ethyl 3-[(2,6-dichlorophenyl)methyl]-2-oxo-2,3-dihydro-1H-1,3-benzodiazole-1-carboxylate (C17H14Cl2N2O3) is characterized by a steroid 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. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
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), Ethyl 3-[(2,6-dichlorophenyl)methyl]-2-oxo-2,3-dihydro-1H-1,3-benzodiazole-1-carboxylate 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 | C17H14Cl2N2O3 |
| Molecular Weight | 365.21 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor, low volatility) |
| 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.) | 2025 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 2 |
Related Ethyl Standards
- N-[(3,4-Dichlorophenyl)methyl]-2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide (CAS 861211-45-2)
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- 1-(2,5-dichlorophenyl)-N-(4-fluorophenyl)-5-methyl-1H-1,2,4-triazole-3-carboxamide (CAS 338398-37-1)
- 1-(3,5-Dichlorophenyl)-N-(4-fluorophenyl)-5-methyl-1H-1,2,4-triazole-3-carboxamide (CAS 338408-23-4)
- Methyl 5-(3,4-dichlorophenyl)-1-(4-fluorophenyl)-1H-pyrazole-3-carboxylate (CAS 318256-22-3)
- N-(2,4-Dichlorophenyl)-1-(4-fluorophenyl)-5-methyl-1H-1,2,4-triazole-3-carboxamide (CAS 338398-12-2)
- 3'-(3,4-Dichlorophenyl)-1,2-dihydrospiro[indole-3,2'-[1,3]thiazolidine]-2,4'-dione (CAS 140234-12-4)
- (2Z)-3-[(3,5-Dichlorophenyl)amino]-2-[4-(3-fluoropropoxy)phenyl]prop-2-enenitrile (CAS 478039-53-1)
Recommended Standards
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- Ethyl 3-(2,4-dichlorobenzyl)-2-oxo-2,3-dihydro-1H-benzo[d]imidazole-1-carboxylate (CAS 339013-43-3)
- n-(3-Iodophenyl)thiophene-2-sulfonamide (CAS 565180-58-7)
- 5-Chloroazepan-2-one (CAS 1468-56-0)
- 2-((2,5-Dichlorobenzyl)amino)ethanol (CAS 1353981-56-2)
- 1-(2,4,5-Trimethyl-1H-imidazol-1-yl)ethanone (CAS 139261-08-8)
- Allopurinol EP Impurity A Hemisulfate (CAS 27511-79-1)
- tert-Butyl 4-(2-amino-1-hydroxyethyl)piperidine-1-carboxylate oxalate (CAS 1610028-37-9)
- Ethyl 6-bromo-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxylate (CAS 96319-36-7)
- 2-(1,3-Thiazol-2-yl)ethan-1-amine dihydrochloride (CAS 56933-57-4)
- Methyl 6-(trifluoromethyl)-1H-indole-4-carboxylate (CAS 1352905-52-2)
- 3-(2,4,5-Trifluorophenyl)piperidine (CAS 1044769-02-9)
- Tirzepatide Impurity 49 (CAS CATO-C4X-324049)
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