Methyl 4-(3-chloro-4-cyanophenyl)benzoate CAS 1355247-89-0
| CAS No. | 1355247-89-0 |
| Molecular Formula | C15H10ClNO2 |
| Molecular Weight | 271.70 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Methyl 4-(3-chloro-4-cyanophenyl)benzoate (CAS 1355247-89-0), molecular formula C15H10ClNO2 and molecular weight 271.70 g/mol, is a CATO reference standard with documented purity and traceability.
Methyl 4-(3-chloro-4-cyanophenyl)benzoate (C15H10ClNO2) 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, the carboxyl group imparts weak acidity; 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 | C15H10ClNO2 |
| Molecular Weight | 271.70 g/mol |
| Appearance | Pale yellow to 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) | 11.0 |
| 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
- Methyl 3-(3-chloro-4-cyanophenyl)benzoate (CAS 1355247-44-7)
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- 3-[2-(4-Chlorophenoxy)phenyl]-3-oxopropanenitrile (CAS 136562-69-1)
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- tert-Butyl 3-amino-5-chlorobenzoate (CAS 1513818-13-7)
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- 2-Morpholinoisonicotinonitrile (CAS 127680-91-5)
- Eledoisin Related Peptide (CAS 2990-43-4)
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