2-(5,6-Dimethyl-3-oxoisobenzofuran-1(3H)-ylidene)acetonitrile CAS 58138-31-1
| CAS No. | 58138-31-1 |
| Molecular Formula | C12H9NO2 |
| Molecular Weight | 199.21 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
As a certified reference material (CRM), 2-(5,6-Dimethyl-3-oxoisobenzofuran-1(3H)-ylidene)acetonitrile 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.
2-(5,6-Dimethyl-3-oxoisobenzofuran-1(3H)-ylidene)acetonitrile (CAS 58138-31-1), molecular formula C12H9NO2 and molecular weight 199.21 g/mol, is a CATO reference standard with documented purity and traceability.
2-(5,6-Dimethyl-3-oxoisobenzofuran-1(3H)-ylidene)acetonitrile (C12H9NO2) contains an amino-acid-derived structure, an amide group, a hydroxyl group, an ether linkage. 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.
Physical & Chemical Properties
| Molecular Formula | C12H9NO2 |
| Molecular Weight | 199.21 g/mol |
| Appearance | Pale yellow to yellow crystalline powder |
| Purity | 97%+ |
| 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) | 9.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1973 |
| Nitrogen Atoms | 1 |
Related Dimethyl Standards
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- 6,7-dimethyl-7H-pyrrolo[2,3-d]pyrimidine-4-carboxylic acid (CAS 1095822-90-4)
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Recommended Standards
- 2-(4-Quinolyl)malondialdehyde sesquihydrate (CAS 40070-86-8)
- 2-(5-Methyl-1,3,4-oxadiazol-2-yl)-1h-indole (CAS 37574-80-4)
- 2-(4-Hydroxyphenyl)pyridine-5-carboxaldehyde (CAS 924853-97-4)
- 2-(8-Methyl-4-oxo-3,4-dihydroquinazolin-2-yl)acetonitrile (CAS 477879-84-8)
- Ethyl (1S,2S)-2-((tert-butoxycarbonyl)amino)cyclopropane-1-carboxylate (CAS 1932045-84-5)
- 6'-Bromo-4-hydroxyspiro[cyclohexane-1,2'-inden]-1'(3'H)-one (CAS 1383985-06-5)
- tert-butyl piperidine-2-carboxylate (CAS 147202-35-5)
- 3-(Pyridin-3-yloxy)propane-1-sulfonyl chloride (CAS 1340044-51-0)
- quinoline-5-carboxamide (CAS 175533-32-1)
- 4-bromo-5-chloro-2-iodopyridine (CAS 1805015-33-1)
- Ethyl 4-amino-3-(2,5-dimethoxyphenyl)-2-thioxo-2,3-dihydrothiazole-5-carboxylate (CAS 312922-23-9)
- 2-((2-chloro-4-(cyclopropylamino)pyrimidine-5-carbonyl)oxy)-4-(cyclopropylamino)pyrimidine-5-carboxylic acid (CAS CATO-C3D-262479)
- 2-(Methylamino)acetamide (CAS 6250-76-6)
- Semaglutide impurity 258 (CAS CATO-C4X-2226258)
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