Methyl 3-(4-chlorophenyl)-2-isocyanopropanoate CAS 120314-12-7
| CAS No. | 120314-12-7 |
| Molecular Formula | C11H9ClNO2 |
| Molecular Weight | 222.65 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Based on its molecular formula C11H9ClNO2, Methyl 3-(4-chlorophenyl)-2-isocyanopropanoate contains a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, chlorine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 222.65 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. The high carbon-to-hydrogen ratio imparts good lipophilicity, allowing liquid-liquid extraction with non-polar solvents such as n-hexane or ethyl acetate.
Methyl 3-(4-chlorophenyl)-2-isocyanopropanoate (CAS 120314-12-7) is a high-purity analytical reference standard with the molecular formula C11H9ClNO2 and a molecular weight of 222.65 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 | C11H9ClNO2 |
| Molecular Weight | 222.65 g/mol |
| Appearance | Off-white to pale yellow crystalline powder. (slight halide-like odor) |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep tightly closed to prevent evaporation |
| Solubility (reference) | Soluble in chloroform, dichloromethane, ethyl acetate, DMSO |
| 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) | 7.5 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1991 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 1 |
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Recommended Standards
- (2-Methoxypyrimidin-5-yl)methanesulfonyl chloride (CAS 1196155-67-5)
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- 3-Bromo-1h-pyrrolo[2,3-b]pyridine hydrobromide (CAS 1461713-60-9)
- (2S,2'S)-1,1'-Bis[[bis(1-methylethyl)amino]carbonyl]-2,2'-bis(diphenylphosphino)ferrocene (CAS 191803-52-8)
- 3H-1,2,4-Triazole-3-thione, 2,4-dihydro-4-(2-methylbutyl)-5-(4-methylphenyl)- (CAS 935291-34-2)
- 5-Benzyl-4,5-dihydro-1H-imidazol-2-amine (CAS 94830-58-7)
- (E)-Oct-2-en-1-yl acetate (CAS 3913-80-2)
- N-(4-methoxyphenethyl)benzamide (CAS 3278-19-1)
- 4-Chlorobiphenyl-2′,3′,4′,5′,6′-d5 (CAS 51624-37-4)
- 1-(4-Methylthiazol-2-yl)cyclobutanamine (CAS 1303845-63-7)
- 4-Fluoro-N-(piperidin-3-ylmethyl)benzenesulfonamide hydrochloride (CAS 1353971-00-2)
- Semaglutide Impurity 177 (CAS CATO-C4X-2226177)
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