2-[3-(Trifluoromethyl)phenyl]benzonitrile CAS 501427-87-8
| CAS No. | 501427-87-8 |
| Molecular Formula | C14H8F3N |
| Molecular Weight | 247.22 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
2-[3-(Trifluoromethyl)phenyl]benzonitrile (CAS 501427-87-8) is a high-purity analytical reference standard with the molecular formula C14H8F3N and a molecular weight of 247.22 g/mol.
Based on its molecular formula C14H8F3N, 2-[3-(Trifluoromethyl)phenyl]benzonitrile 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 247.22 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.
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.
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 | C14H8F3N |
| Molecular Weight | 247.22 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 |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light |
| Degree of Unsaturation (DBE) | 10.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1984 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 1 |
Related Trifluoromethyl Standards
- 1-(6-(Trifluoromethyl)pyridazin-3-yl)piperidin-4-ol (CAS 1216801-35-2)
- 2'-(Trifluoromethyl)[1,1'-biphenyl]-3-carbonitrile (CAS 192699-59-5)
- 2'-(Trifluoromethyl)[1,1'-biphenyl]-4-carbonitrile (CAS 192699-60-8)
- 1-(4-(Trifluoromethyl)pyrimidin-2-yl)piperidin-4-ol (CAS 401930-07-2)
- 2-[4-(Trifluoromethyl)phenyl]benzonitrile (CAS 91748-21-9)
- 3'-(Trifluoromethyl)-[1,1'-biphenyl]-3-carbonitrile (CAS 893734-87-7)
- 3'-(Trifluoromethyl)-[1,1'-biphenyl]-4-carbonitrile (CAS 893734-56-0)
- 4'-(Trifluoromethyl)-[1,1'-biphenyl]-3-carbonitrile (CAS 893734-90-2)
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- 1-(1,5-Diethyl-1H-pyrazol-3-yl)ethanone (CAS 165743-61-3)
- 2-(4-Chloro-1h-pyrazol-1-yl)aniline (CAS 1006467-19-1)
- Diclofensine-d3 Hydrochloride (CAS 1794780-41-8)
- Tert-butyl ((5-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-3-yl)methyl)carbamate (CAS 1247726-98-2)
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