4-Ethynyl-2-(trifluoromethyl)benzonitrile CAS 239104-49-5
| CAS No. | 239104-49-5 |
| Molecular Formula | C10H4F3N |
| Molecular Weight | 195.14 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Based on its molecular formula C10H4F3N, 4-Ethynyl-2-(trifluoromethyl)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 195.14 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. The presence of an aromatic ring or conjugated system gives the compound characteristic absorption bands in the UV-Vis region, making it well suited to UV or diode-array detection (DAD).
4-Ethynyl-2-(trifluoromethyl)benzonitrile (CAS 239104-49-5) is a high-purity analytical reference standard with the molecular formula C10H4F3N and a molecular weight of 195.14 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 | 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.) | 2025 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 1 |
Related Ethynyl Standards
- 2-Ethynyl-5-(trifluoromethyl)benzonitrile (CAS 1234790-90-9)
- 4-Ethynyl-3-(trifluoromethyl)benzonitrile (CAS 2470435-93-7)
- 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-(propan-2-yl)-2-(trifluoromethyl)-2,5-dihydro-1,3-oxazol-5-one (CAS 2357-39-3)
- 3-amino-1,1,1-trifluoro-2-(2-furyl)propan-2-ol (CAS 933726-15-9)
- 4-Hydrazino-7-nitrobenzofurazan (CAS 90421-78-6)
- 3-(5-Nitrofuran-2-yl)-1H-1,2,4-triazol-5-amine (CAS 7532-52-7)
- 4-(3-Fluorophenyl)-2-methylpyrimidine (CAS 85979-50-6)
- 5-(Piperazin-1-yl)quinoline (CAS 117922-84-6)
- Acetoacetyl Coenzyme A Sodium Salt (CAS 102029-52-7)
- (3,5-dimethylphenyl)magnesium bromide 3,5-Dimethylphenylmagnesium bromide 34696-73-6 (CAS 34696-73-6)
- 3-((6-Nitrobenzo[d][1,3]dioxol-5-yl)methylene)dihydrofuran-2(3H)-one (CAS 92722-46-8)
- 2-(4-Bromo-2-chlorophenyl)-1,3-dioxolane (CAS 2221812-22-0)
- Lumateperone impurity 57 (CAS CATO-C4X-220157)
- 4-(Chlorosulfonyl)-3-methoxybenzoic acid (CAS 503446-60-4)
- 1-((3-Methoxytetrahydrothiophen-3-yl)methyl)-3-(thiophen-2-yl)urea (CAS 1448124-26-2)
- Pancreatic Polypeptide (31-36), amide, human (CAS 74012-13-8)
Why CATO?
- ISO 17034 accredited reference material producer (CNAS + ANAB dual accreditation)
- 130,000+ catalog items in stock, COA supplied with every batch
- Worldwide shipping with full export documentation (HS code guidance available)
- Technical support: +86 18665070610 / Nicole.chen@cato-chem.com