3-Cyanomethyl benzoic acid ethyl ester CAS 13288-86-3
| CAS No. | 13288-86-3 |
| Molecular Formula | C11H11NO2 |
| Molecular Weight | 189.21 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 189.21 g/mol gives 3-Cyanomethyl benzoic acid ethyl ester distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
3-Cyanomethyl benzoic acid ethyl ester (CAS 13288-86-3) is a high-purity analytical reference standard with the molecular formula C11H11NO2 and a molecular weight of 189.21 g/mol.
Based on its molecular formula C11H11NO2, 3-Cyanomethyl benzoic acid ethyl ester contains an amino-acid-derived structure, an amide group, a hydroxyl group, an ether linkage; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 189.21 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.
As a certified reference material (CRM), 3-Cyanomethyl benzoic acid ethyl ester meets the metrological traceability requirements of ISO/IEC 17025 laboratories. Batch-to-batch consistency is monitored via control charts to guarantee comparable assigned values across lots.
Physical & Chemical Properties
| Molecular Formula | C11H11NO2 |
| Molecular Weight | 189.21 g/mol |
| Appearance | Off-white to pale yellow crystalline powder |
| Purity | >95% |
| Storage | Store at 2-8°C, protect from light |
| Solubility (reference) | Soluble in chloroform, dichloromethane, ethyl acetate, DMSO |
| 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.) | 1960 |
| Nitrogen Atoms | 1 |
Related Cyanomethyl Standards
- Ethyl 2-(cyanomethyl)benzoate (CAS 19821-21-7)
- Ethyl 4-(cyanomethyl)benzoate (CAS 83901-88-6)
- Methyl 2-(2-(cyanomethyl)phenyl)acetate (CAS 643021-02-7)
- methyl 5-(cyanomethyl)-2-methylbenzoate (CAS 2060030-00-2)
- N-Cyanomethyl Phentermine (CAS 69716-73-0)
- n-(Cyanomethyl)-3-phenylpropanamide (CAS 129977-03-3)
- N-(4-(Cyanomethyl)benzyl)acetamide (CAS 135420-01-8)
- N-(cyanomethyl)-N,4-dimethylbenzamide (CAS 89244-30-4)
Recommended Standards
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- Ethyl 1H-indole-1-carboxylate (CAS 13307-67-0)
- 1-Ethyl-1h-indole-3-carboxylic acid (CAS 132797-91-2)
- (5-Methyl-2-phenyl-2H-1,2,3-triazol-4-yl)methanol (CAS 13322-19-5)
- N,2-Dihydroxy-1-naphthamide (CAS 27287-00-9)
- Procinonide (CAS 58497-00-0)
- 1,4-Phenylenediacetic Acid Ethyl Ester (CAS 113520-36-8)
- 3-((7-Chloro-6-methoxyquinolin-4-yl)amino)benzoic acid (CAS 1315349-25-7)
- Ethyl 2-(difluoromethyl)-5-oxo-5,6,7,8-tetrahydroquinoline-3-carboxylate (CAS 1708288-63-4)
- 4-chlorothieno[2,3-d]pyrimidine-5-carboxylic acid (CAS 2090335-66-1)
- N-(1H-Imidazol-2-yl)-1H-imidazole-1-carboxamide (CAS 780803-08-9)
- (S)-1-(2-fluoro-3-(trifluoromethyl)phenyl)ethan-1-amine hydrochloride (CAS 2416218-85-2)
- 6-(tert-Butyl)-5-methoxynicotinaldehyde (CAS 1289264-74-9)
- Liraglutide Sodium Salt (CAS 204656-20-2（free base）)
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