3-(2-Chloroethyl)-1-(3-cyanophenyl)urea CAS 803729-99-9
| CAS No. | 803729-99-9 |
| Molecular Formula | C10H10ClN3O |
| Molecular Weight | 223.66 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Under current pharmacopoeial and regulatory frameworks, quality-control requirements for this class of reference material explicitly involve the control of targets including 3-(2-Chloroethyl)-1-(3-cyanophenyl)urea.
3-(2-Chloroethyl)-1-(3-cyanophenyl)urea (CAS 803729-99-9) is a high-purity analytical reference standard with the molecular formula C10H10ClN3O and a molecular weight of 223.66 g/mol.
3-(2-Chloroethyl)-1-(3-cyanophenyl)urea (C10H10ClN3O) contains a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, chlorine substitution. Halogen substitution raises its density and boiling point, its high carbon-to-hydrogen ratio confers good lipid solubility; these physicochemical properties determine the optimal preparation and storage of its standard solutions. The high carbon-to-hydrogen ratio imparts good lipophilicity, allowing liquid-liquid extraction with non-polar solvents such as n-hexane or ethyl acetate.
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 | C10H10ClN3O |
| Molecular Weight | 223.66 g/mol |
| Appearance | Off-white to pale yellow crystalline powder. (slight halide-like odor, faint amine-like odor) |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep tightly closed to prevent evaporation |
| 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) | 7.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1986 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 3 |
Related Chloroethyl Standards
- 1-(2-Chloroethyl)-3-(4-cyanophenyl)urea (CAS 13908-43-5)
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- 3-(1-Chloroethyl)-5-(trifluoromethyl)aniline (CAS 1823370-54-2)
- 1-(1-Chloroethyl)-3-(trifluoromethoxy)benzene (CAS 1690498-71-5)
- 1-(1-Chloroethyl)-4-(trifluoromethoxy)benzene (CAS 306296-69-5)
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Recommended Standards
- 2-Chloro-N-cyclobutyl-9H-purin-6-amine (CAS 325168-08-9)
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- 2-((4-Methyl-1,2,3-thiadiazol-5-yl)thio)benzoic acid (CAS 400082-02-2)
- Ethyl N-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-N-methoxycarbamate (CAS 338422-74-5)
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