{5-chloro-2-[(2-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino}ethyl)amino]phenyl}urea CAS 303986-13-2
| CAS No. | 303986-13-2 |
| Molecular Formula | C15H14Cl2F3N5O |
| Molecular Weight | 408.21 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of {5-chloro-2-[(2-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino}ethyl)amino]phenyl}urea is closely related to a nitrogen-containing heterocyclic scaffold, 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.
{5-chloro-2-[(2-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino}ethyl)amino]phenyl}urea (CAS 303986-13-2), molecular formula C15H14Cl2F3N5O and molecular weight 408.21 g/mol, is a CATO reference standard with documented purity and traceability.
Based on its molecular formula C15H14Cl2F3N5O, {5-chloro-2-[(2-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino}ethyl)amino]phenyl}urea contains a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, fluorine/chlorine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 408.21 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. 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 | C15H14Cl2F3N5O |
| Molecular Weight | 408.21 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 |
| Solubility (reference) | Soluble in DMSO, DMF, methanol |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light |
| Degree of Unsaturation (DBE) | 9.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | F/Cl-containing |
| Nitrogen Atoms | 5 |
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Recommended Standards
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- 3-(2-Bromo-4-nitrophenoxy)pyrido[1,2-a]indole-10-carbonitrile (CAS 477888-95-2)
- (S)-4-Ethyloxazolidine-2,5-dione (CAS 29774-83-2)
- cis-1-methyl-octahydro-1H-imidazolidino[4,5-c]pyridin-2-one hydrochloride (CAS 1820581-38-1)
- 6-Aminophenazine-1-carboxylic acid (CAS 91804-63-6)
- Thiophene-3-sulfonamide (CAS 64255-63-6)
- 1,2-O-Dioctadecyl-sn-glycerol (CAS 82188-61-2)
- 4-(4-Carboxy-3-fluoro-phenyl)-piperidine-1-carboxylic acid tert-butyl ester 1158765-79-7 4-(1-(tert-Butoxycarbonyl)piperidin-4-yl)-2-fluorobenzoic acid A1-09550 (CAS 1158765-79-7)
- 2,4-Diazabicyclo[4.2.0]octane-3,5-dione (CAS 34658-61-2)
- Sertraline Impurity 29 (CAS 36159-73-6)
- 1-Fluoronaphthalene-2-boronic acid (CAS 222547-67-3)
- Palmitoyl Pentapeptide-4 (CAS 214047-00-4)
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