2-(3-Chlorophenyl)-4-methyl-3-oxopentanenitrile CAS 96863-37-5
| CAS No. | 96863-37-5 |
| Molecular Formula | C12H12ClNO |
| Molecular Weight | 221.68 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
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.
CATO supplies 2-(3-Chlorophenyl)-4-methyl-3-oxopentanenitrile (CAS 96863-37-5), a certified reference material (molecular formula C12H12ClNO, MW 221.68 g/mol) for analytical method development and quality control.
2-(3-Chlorophenyl)-4-methyl-3-oxopentanenitrile (C12H12ClNO) 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 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).
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
Physical & Chemical Properties
| Molecular Formula | C12H12ClNO |
| Molecular Weight | 221.68 g/mol |
| 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 |
| Degree of Unsaturation (DBE) | 7.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1984 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 1 |
Related Chlorophenyl Standards
- 2-(4-Chlorophenyl)-3-methoxypent-2-enenitrile (CAS 100121-94-6)
- 3-(4-Chlorophenyl)oxane-3-carbonitrile (CAS 1035262-48-6)
- 2-(2-Chlorophenyl)-4-methyl-3-oxopentanenitrile (CAS 1247602-62-5)
- 4-(2-Chlorophenyl)tetrahydro-2H-pyran-4-carbonitrile (CAS 1250512-48-1)
- 2-(4-Chlorophenyl)-4-methyl-3-oxopentanenitrile (CAS 91395-71-0)
- 3-((3-Chlorophenyl)amino)cyclohex-2-en-1-one (CAS 51409-82-6)
- 3-((4-Chlorophenyl)amino)cyclohex-2-en-1-one (CAS 36646-75-0)
- 4-(3-Chlorophenyl)tetrahydro-2h-pyran-4-carbonitrile (CAS 473706-22-8)
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- 4-(((tert-Butyldimethylsilyl)oxy)methyl)-1,2,3-oxathiazolidine 2,2-dioxide (CAS 2383507-59-1)
- 2-(1-Hydroxy-1-Methylethyl)-4-Methoxy-7H-Furo[3,2-G][1]benzopyran-7-One (CAS 54087-32-0)
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- Semaglutide impurity 91 (CAS CATO-C4X-222691)
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