2-(4-Chlorophenyl)-3-oxobutanenitrile CAS 5219-07-8
| CAS No. | 5219-07-8 |
| Molecular Formula | C10H8ClNO |
| Molecular Weight | 193.63 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.
2-(4-Chlorophenyl)-3-oxobutanenitrile (CAS 5219-07-8), molecular formula C10H8ClNO and molecular weight 193.63 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, 2-(4-Chlorophenyl)-3-oxobutanenitrile (C10H8ClNO) contains a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, chlorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 7.0, corresponding to approximately 7 ring(s) or double-bond equivalent(s). With a molecular weight of 193.63 g/mol, it falls into the medium-molecular-weight range. The high carbon-to-hydrogen ratio imparts good lipophilicity, allowing liquid-liquid extraction with non-polar solvents such as n-hexane or ethyl acetate.
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 | C10H8ClNO |
| Molecular Weight | 193.63 g/mol |
| Appearance | Off-white to pale yellow crystalline powder. (slight halide-like odor, faint amine-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 |
| Degree of Unsaturation (DBE) | 7.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1958 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 1 |
Related Chlorophenyl Standards
- 4-(2-Chlorophenyl)-4-oxobutyronitrile (CAS 135595-17-4)
- 1-(4-chlorophenyl)-1H-pyrazol-4-amine (CAS 14044-28-1)
- 1-(2-chlorophenyl)-1H-pyrazol-4-amine (CAS 14060-57-2)
- 2-(3-Chlorophenyl)-3-oxobutanenitrile (CAS 14123-79-6)
- 1-(2-Chlorophenyl)-1h-pyrazol-5-amine (CAS 14678-96-7)
- 1-(4-Chlorophenyl)-1h-pyrazol-5-amine (CAS 14678-97-8)
- 1-(3-Chlorophenyl)-1h-pyrazol-5-amine (CAS 15001-15-7)
- 3-(4-Chlorophenyl)-4-methyl-4h-1,2,4-triazole (CAS 168968-40-9)
Recommended Standards
- 2-(4-Chloromethyl-Phenyl)-2H-[1,2,3]Triazole (CAS 449211-79-4)
- 2-(chloromethyl)-5-phenyl-1,3-oxazole (CAS 64640-13-7)
- 2-(4-Chloro-5-methyl-1H-pyrazol-3-yl)pyridine (CAS 855343-76-9)
- 2-(chloromethyl)quinazolin-4-amine (CAS 877041-19-5)
- 2-(3-Methyl-6-oxopyridazin-1(6H)-yl)-N-(pyridin-2-yl)propanamide (CAS 1235319-65-9)
- (2,3,6-Trifluoro-4-pyridyl)methanol (CAS 852098-48-7)
- 1-(Tetrahydrofuran-2-carbonyl)piperidine-4-carboxylic acid (CAS 926214-32-6)
- Dirhodium tetracaprolactamate (CAS 138984-26-6)
- 2-Chloro-6-isobutyl-nicotinic acid methyl ester (CAS 69945-92-2)
- (3-Cyano-2-hydroxyphenyl)trifluoroborate (CAS 2376462-72-3)
- N-Cyclopropyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-8-carboxamide (CAS 1706428-92-3)
- meso-Tetra (2,3,4-trifluorophenyl) porphine (CAS 1821342-32-8)
- Falipamil (CAS 77862-92-1)
- Semaglutide impurity 58 (CAS CATO-C4X-222658)
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