4-Ethynyl-3-(trifluoromethyl)benzonitrile CAS 2470435-93-7
| CAS No. | 2470435-93-7 |
| Molecular Formula | C10H4F3N |
| Molecular Weight | 195.14 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
CATO supplies 4-Ethynyl-3-(trifluoromethyl)benzonitrile (CAS 2470435-93-7), a certified reference material (molecular formula C10H4F3N, MW 195.14 g/mol) for analytical method development and quality control.
The molecular framework of 4-Ethynyl-3-(trifluoromethyl)benzonitrile (C10H4F3N) 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. The high carbon-to-hydrogen ratio imparts good lipophilicity, allowing liquid-liquid extraction with non-polar solvents such as n-hexane or ethyl acetate.
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 | C10H4F3N |
| Molecular Weight | 195.14 g/mol |
| Appearance | Pale yellow to 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 chloroform, dichloromethane, ethyl acetate |
| 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.) | 2000 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 1 |
Related Ethynyl Standards
- 2-Ethynyl-5-(trifluoromethyl)benzonitrile (CAS 1234790-90-9)
- 4-Ethynyl-2-(trifluoromethyl)benzonitrile (CAS 239104-49-5)
- 2-ethynyl-3H-imidazo[4,5-b]pyridine-5-carboxylic acid (CAS 2435840-58-5)
- 5-Ethynyl-3-phenylpyrazin-2-amine (CAS 2227272-78-6)
- N-Ethynyl-N-phenylmethanesulfonamide (CAS 1357012-16-8)
- 4'-Ethynyl-[1,1'-biphenyl]-4-ol (CAS 1202355-37-0)
- 1-Ethynyl-3-phenoxybenzene (CAS 58775-83-0)
- 2-Ethynyl-2'-fluoro-1,1'-biphenyl (CAS 118527-41-6)
Recommended Standards
- 4-Hydrazino-7-nitrobenzofurazan (CAS 90421-78-6)
- 4-(propan-2-yl)-2-(trifluoromethyl)-2,5-dihydro-1,3-oxazol-5-one (CAS 2357-39-3)
- 5-Hydroxy-7-imino-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid (CAS 328276-04-6)
- 3-amino-1,1,1-trifluoro-2-(2-furyl)propan-2-ol (CAS 933726-15-9)
- 1-(5-(((Tert-butyldiphenylsilyl)oxy)methyl)-1-methyl-1H-pyrazol-3-yl)-N-methylmethanamine (CAS 2413725-95-6)
- 5-[4-(Methylsulfanyl)phenyl]-2-furoic acid (CAS 893734-62-8)
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