4-Ethynyl-3-fluorobenzonitrile CAS 1581281-30-2
| CAS No. | 1581281-30-2 |
| Molecular Formula | C9H4FN |
| Molecular Weight | 145.13 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
4-Ethynyl-3-fluorobenzonitrile (CAS 1581281-30-2) is a high-purity analytical reference standard with the molecular formula C9H4FN and a molecular weight of 145.13 g/mol.
The molecular framework of 4-Ethynyl-3-fluorobenzonitrile (C9H4FN) is characterized by a nitrogen-containing heterocyclic scaffold, a nitrile group, fluorine substitution. 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. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
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.
CATO manufactures 4-Ethynyl-3-fluorobenzonitrile under ISO 17034:2016 accreditation with dual CNAS and ANAB accreditation. Each batch is characterized by orthogonal methods and supplied with a full Certificate of Analysis (COA), ensuring metrological traceability.
Physical & Chemical Properties
| Molecular Formula | C9H4FN |
| Molecular Weight | 145.13 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) | 8.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1993 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 1 |
Related Ethynyl Standards
- 5-Ethynyl-2-fluorobenzonitrile (CAS 1093306-86-5)
- 2-Ethynyl-4-fluorobenzonitrile (CAS 1208076-36-1)
- 2-Ethynyl-6-fluorobenzonitrile (CAS 1233509-91-5)
- 3-Ethynyl-4-fluorobenzonitrile (CAS 133960-64-2)
- 2-Ethynyl-5-fluorobenzonitrile (CAS 1378823-86-9)
- 4-Ethynyl-2-fluorobenzonitrile (CAS 167858-57-3)
- 2-Ethynyl-3-fluorobenzonitrile (CAS 1848959-59-0)
- 3-Ethynyl-2-fluorobenzonitrile (CAS 2043403-57-0)
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Why CATO?
- ISO 17034 accredited reference material producer (CNAS + ANAB dual accreditation)
- 130,000+ catalog items in stock, COA supplied with every batch
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