4-Oxocyclohex-1-ene-1-carbonitrile CAS 73453-61-9
| CAS No. | 73453-61-9 |
| Molecular Formula | C7H7NO |
| Molecular Weight | 121.14 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
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.
4-Oxocyclohex-1-ene-1-carbonitrile (CAS 73453-61-9), molecular formula C7H7NO and molecular weight 121.14 g/mol, is a CATO reference standard with documented purity and traceability.
The molecular framework of 4-Oxocyclohex-1-ene-1-carbonitrile (C7H7NO) is characterized by an amide group, a hydroxyl group, an ether linkage, an aromatic ring system. In reversed-phase chromatography, its retention is governed primarily by the protonation state of its nitrogen-containing groups, which provides a practical basis for HPLC-UV/DAD or LC-MS method development. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
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 | C7H7NO |
| Molecular Weight | 121.14 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light |
| Solubility (reference) | Soluble in methanol, acetonitrile, DMSO, water (slightly soluble) |
| Stability | Light-sensitive; avoid direct strong light |
| Degree of Unsaturation (DBE) | 5.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1977 |
| Nitrogen Atoms | 1 |
Related Oxocyclohex Standards
- 6-Oxocyclohex-1-enecarbonitrile (CAS 91624-93-0)
- 3-Oxocyclohex-1-ene-1-carbaldehyde (CAS 62952-40-3)
- 3-Oxocyclohex-1-ene-1-carboxylic acid (CAS 24079-79-6)
- 5-Oxocyclohex-1-enecarboxylic acid (CAS 37051-60-8)
- 5-Oxocyclohex-3-enecarboxylic acid (CAS 22748-45-4)
- 2-Methyl-4-oxocyclohex-2-ene-1-carboxylic acid (CAS 174642-99-0)
- 3-Oxocyclohex-1-en-1-yl acetate (CAS 57918-73-7)
- Methyl 5-oxocyclohex-1-enecarboxylate (CAS 66838-90-2)
Recommended Standards
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