1-Fluoro-4-(2-isocyanoethyl)benzene CAS 244221-04-3
| CAS No. | 244221-04-3 |
| Molecular Formula | C9H8FN |
| Molecular Weight | 149.16 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
1-Fluoro-4-(2-isocyanoethyl)benzene (CAS 244221-04-3) is a high-purity analytical reference standard with the molecular formula C9H8FN and a molecular weight of 149.16 g/mol.
Based on its molecular formula C9H8FN, 1-Fluoro-4-(2-isocyanoethyl)benzene contains a nitrogen-containing heterocyclic scaffold, a nitrile group, fluorine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 149.16 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. 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 | C9H8FN |
| Molecular Weight | 149.16 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep tightly closed to prevent evaporation |
| Solubility (reference) | Soluble in methanol, acetonitrile, DMSO |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light |
| Degree of Unsaturation (DBE) | 6.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 1 |
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Recommended Standards
- 1-Fluoro-2-(2-isocyanoethyl)benzene (CAS 730964-62-2)
- 2-(2-Fluoro-3-methylphenyl)acetonitrile (CAS 878741-82-3)
- 1-(4-fluorophenyl)prop-2-yn-1-amine (CAS 226698-96-0)
- 2-(2-Fluoro-4-methylphenyl)acetonitrile (CAS 518070-26-3)
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