6-Chloro-1-(3-cyanophenyl)-1-oxohexane CAS 898786-74-8
| CAS No. | 898786-74-8 |
| Molecular Formula | C13H14ClNO |
| Molecular Weight | 235.71 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 235.71 g/mol gives 6-Chloro-1-(3-cyanophenyl)-1-oxohexane distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
6-Chloro-1-(3-cyanophenyl)-1-oxohexane (CAS 898786-74-8), molecular formula C13H14ClNO and molecular weight 235.71 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, 6-Chloro-1-(3-cyanophenyl)-1-oxohexane (C13H14ClNO) 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 235.71 g/mol, it falls into the medium-molecular-weight range. 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.
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.
Physical & Chemical Properties
| Molecular Formula | C13H14ClNO |
| Molecular Weight | 235.71 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.) | 1987 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 1 |
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Recommended Standards
- 6-(2-Chlorophenyl)-6-(methylamino)-2-cyclohexen-1-one (CAS 79499-56-2)
- 6-Chloro-1-(4-cyanophenyl)-1-oxohexane (CAS 898786-19-1)
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- 2-(Bromomethyl)-7-ethylbenzo[d]oxazole (CAS 1803837-57-1)
- 2-Benzyl-6-bromoisoquinolin-1(2H)-one (CAS 147497-41-4)
- (3-(2,6-Dichlorophenyl)-5-isopropylisoxazol-4-yl)methanamine (CAS 936549-94-9)
- Acetyl Empagliflozin Impurity 148 (CAS CATO-C4X-1065148)
- 2,4-Dibromo-5-fluoropyridin-3-amine (CAS 884494-90-0)
- 3-Chloro-4-(pyridazin-3-yloxy)aniline (CAS 1249676-11-6)
- Ethyl 3-cyclopropyl-6-ethyl-1-(2-fluorophenyl)-1H-pyrazolo[3,4-b]pyridine-4-carboxylate (CAS 1018150-92-9)
- Semaglutide impurity 106 (CAS CATO-C4X-2226106)
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