4-(1,1,1-Trifluoro-2-methylpropan-2-yl)benzonitrile CAS 1225380-06-2
| CAS No. | 1225380-06-2 |
| Molecular Formula | C11H10F3N |
| Molecular Weight | 213.20 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The molecular framework of 4-(1,1,1-Trifluoro-2-methylpropan-2-yl)benzonitrile (C11H10F3N) is characterized by a nitrogen-containing heterocyclic scaffold, a nitrile group, fluorine substitution. In reversed-phase chromatography, its retention is governed primarily by its high hydrophobicity (logP), 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.
4-(1,1,1-Trifluoro-2-methylpropan-2-yl)benzonitrile (CAS 1225380-06-2) is a high-purity analytical reference standard with the molecular formula C11H10F3N and a molecular weight of 213.20 g/mol.
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 | C11H10F3N |
| Molecular Weight | 213.20 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) | 6.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1990 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 1 |
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- 1-(6-Chlorobenzo[d]oxazol-2-yl)piperidin-4-amine (CAS 1119452-00-4)
- 2-Amino-N-cycloheptylbenzamide (CAS 1018500-01-0)
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