4-(3-chloro-2-oxopropyl)benzonitrile CAS 62043-70-3
| CAS No. | 62043-70-3 |
| Molecular Formula | C10H8ClNO |
| Molecular Weight | 193.63 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of 4-(3-chloro-2-oxopropyl)benzonitrile is closely related to a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, chlorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
4-(3-chloro-2-oxopropyl)benzonitrile (CAS 62043-70-3), molecular formula C10H8ClNO and molecular weight 193.63 g/mol, is a CATO reference standard with documented purity and traceability.
Based on its molecular formula C10H8ClNO, 4-(3-chloro-2-oxopropyl)benzonitrile contains a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, chlorine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 193.63 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
As a certified reference material (CRM), 4-(3-chloro-2-oxopropyl)benzonitrile 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 | 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.) | 1974 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 1 |
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Recommended Standards
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- 4-Amino-3-methyltetrahydrofuran-3-carboxylic acid (CAS 1516837-99-2)
- (R)-2,2,2-Trifluoro-1-(3-(trifluoromethyl)phenyl)ethanamine hydrochloride (CAS 1391469-75-2)
- N-(3,4-dichlorophenyl)-2-(2,4-dimethylphenyl)quinoline-4-carboxamide (CAS 332176-32-6)
- 4-(3,4-Dichlorophenyl)tetrahydro-2H-pyran-4-carbonitrile (CAS 1035262-24-8)
- (2-Methylbut-3-yn-2-yl)benzene (CAS 28129-05-7)
- N,7-Dimethylpyrido[2,3-d]pyrimidin-2-amine, 97% (CAS 1454682-78-0)
- 4-(2,5-Dimethyl-pyrrol-1-yl)-2-hydroxy-benzoic acid 4-(2,5-dimethyl-1H-pyrrol-1-yl)-2-hydroxybenzoic acid 5987-00-8 (CAS 5987-00-8)
- Semaglutide impurity 46 (CAS CATO-C4X-222646)
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