4-(2,2,2-trifluoroacetyl)benzonitrile CAS 23516-85-0
| CAS No. | 23516-85-0 |
| Molecular Formula | C9H10F3NO |
| Molecular Weight | 205.18 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
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.
4-(2,2,2-trifluoroacetyl)benzonitrile (CAS 23516-85-0), molecular formula C9H10F3NO and molecular weight 205.18 g/mol, is a CATO reference standard with documented purity and traceability.
The molecular framework of 4-(2,2,2-trifluoroacetyl)benzonitrile (C9H10F3NO) is characterized by a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, 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. The aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
Physical & Chemical Properties
| Molecular Formula | C9H10F3NO |
| Molecular Weight | 205.18 g/mol |
| Appearance | Off-white to pale yellow crystalline powder. (slight halide-like odor, faint amine-like odor, low volatility) |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep tightly closed to prevent evaporation |
| Solubility (reference) | Soluble in methanol, acetonitrile, DMSO, water (slightly soluble) |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light |
| Degree of Unsaturation (DBE) | 4.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1963 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 1 |
Related trifluoroacetyl Standards
- 1-Methyl-4-(2,2,2-trifluoroacetyl)-1H-pyrrole-2-carbaldehyde (CAS 482584-40-7)
- 1-(2,2,2-Trifluoroacetyl)piperidine-2-carbonitrile (CAS 144122-19-0)
- 1-(2,2,2-Trifluoroacetyl)piperidine-4-carbonitrile (CAS 77940-79-5)
- N-(trifluoroacetyl)-Alanyl Chloride (CAS 1597-19-9)
- N-trifluoroacetyl-β-alanyl chloride (CAS 87639-76-7)
- 2-(2,2,2-Trifluoroacetyl)cycloheptan-1-one (CAS 82726-77-0)
- 2-Methyl-6-(2,2,2-trifluoroacetyl)cyclohexan-1-one (CAS 266309-20-0)
- 4-Methyl-2-(2,2,2-trifluoroacetyl)cyclohexan-1-one (CAS 266309-22-2)
Recommended Standards
- 3-Methoxy-N-(2,2,2-trifluoroethyl)aniline (CAS 62351-58-0)
- 4,5,6,7-Tetrahydro-1-methyl-3-(trifluoromethyl)-1H-pyrazolo[4,3-c]pyridine (CAS 794451-94-8)
- 3-Amino-1,1,1-trifluoro-2-phenylpropan-2-ol (CAS 561007-08-7)
- 4-[(Difluoromethoxy)methyl]-3-fluorobenzenemethanamine (CAS 2768153-37-1)
- 3-((1R,2S,3R)-2-(2-(Furan-3-yl)ethyl)-2,3-dimethyl-6-(propan-2-ylidene)cyclohexyl)propanoic acid (CAS 102904-60-9)
- (2R,4R,5S)-4-tert-Butyl 2-methyl 5-phenylpyrrolidine-2,4-dicarboxylate (CAS 603958-80-1)
- 2-(Aminomethyl)-1-cyclohexylbutan-1-ol (CAS 21533-30-2)
- (2S,4S)-4-Fluoro-2-methylpyrrolidine hydrochloride (CAS 2828444-34-2)
- (2S)-Methyl 4-hydroxypyrrolidine-2-carboxylate (CAS 1001383-50-1)
- 1-(3-Bromo-4-fluorobenzyl)-1h-1,2,3-triazol-4-amine (CAS 1513439-80-9)
- (2-(8-Bromo-2,3-dihydrobenzo[b][1,4]dioxin-6-yl)cyclopropyl)methanamine (CAS 1492876-89-7)
- 2-(((5-Chloro-2,4-dimethoxyphenyl)amino)methyl)phenol (CAS 1019495-83-0)
- 2-(4-(Difluoromethyl)-6-fluoro-3-iodopyridin-2-yl)acetonitrile (CAS 1805437-09-5)
- D-Ser32-Tirzepatide (CAS CATO-CPTD788692)
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