1-(3-Acetylphenyl)-3-(1-(3,4-dichlorobenzyl)-1H-1,2,4-triazol-3-yl)urea CAS 708221-39-0
| CAS No. | 708221-39-0 |
| Molecular Formula | C18H15Cl2N5O2 |
| Molecular Weight | 404.25 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.
1-(3-Acetylphenyl)-3-(1-(3,4-dichlorobenzyl)-1H-1,2,4-triazol-3-yl)urea (CAS 708221-39-0) is a high-purity analytical reference standard with the molecular formula C18H15Cl2N5O2 and a molecular weight of 404.25 g/mol.
The molecular framework of 1-(3-Acetylphenyl)-3-(1-(3,4-dichlorobenzyl)-1H-1,2,4-triazol-3-yl)urea (C18H15Cl2N5O2) 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. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
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 | C18H15Cl2N5O2 |
| Molecular Weight | 404.25 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) | 13.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1985 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 5 |
Related Acetylphenyl Standards
- 1-(1-(4-Acetylphenyl)-1H-1,2,3-triazol-4-yl)-2-(2,4-dichlorophenoxy)propan-1-one (CAS 478041-20-2)
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- N-(4-Acetylphenyl)-2-chloro-5-iodobenzamide (CAS 425649-10-1)
- N-(4-acetylphenyl)-2-((4-ethyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)acetamide (CAS 333411-40-8)
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Recommended Standards
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- (2Z)-2-Cyano-N-[(1E)-{[(2,4-dichlorophenyl)methoxy]imino}methyl]-3-(4-methoxyphenyl)prop-2-enamide (CAS 338976-28-6)
- 2-Chloro-N-(6-chloro-1,3-benzothiazol-2-yl)-5-nitrobenzene-1-sulfonamide (CAS 847794-88-1)
- (S)-Fmoc-2-amino-4-bromobutyric Acid (CAS 172169-88-9)
- 3-(((1-Methylpyrrolidin-3-yl)amino)methyl)phenol (CAS 1250779-73-7)
- (R)-tert-Butyl 1-(3-fluorobenzoyl)pyrrolidin-3-ylcarbamate (CAS 1286208-20-5)
- 2-(Pyridin-2-yl)-N-(2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)acetamide (CAS 2246849-95-4)
- Ethyl 2,3,3,3-tetrafluoropropionate (CAS 399-92-8)
- 5-Amino-2-(hydroxymethyl)benzaldehyde (CAS 1638771-80-8)
- Racecadotril Impurity 12 (CAS CATO-C4X-110612)
- (2E)-2-(1,3-benzothiazol-2-yl)-4-chloro-3-methylbut-2-enenitrile (CAS 735342-48-0)
- 6-(Aminomethyl)-1-methylpyridin-2(1H)-one (CAS 1506794-60-0)
- 2-Bromo-6-(3-methylpiperidin-1-yl)pyridine (CAS 959237-08-2)
- Galanin-Like Peptide (human) trifluoroacetate salt (CAS 245114-99-2)
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