2-(4-Chlorophenyl)-2-(4-(4-fluorobenzoyl)phenyl)acetonitrile CAS 339114-45-3
| CAS No. | 339114-45-3 |
| Molecular Formula | C21H13ClFNO |
| Molecular Weight | 349.79 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Structurally, 2-(4-Chlorophenyl)-2-(4-(4-fluorobenzoyl)phenyl)acetonitrile (C21H13ClFNO) contains a steroid core, an amide group, a hydroxyl group, an ether linkage, fluorine/chlorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 15.0, corresponding to approximately 15 ring(s) or double-bond equivalent(s). With a molecular weight of 349.79 g/mol, it falls into the moderately-high-molecular-weight range. 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).
2-(4-Chlorophenyl)-2-(4-(4-fluorobenzoyl)phenyl)acetonitrile (CAS 339114-45-3), molecular formula C21H13ClFNO and molecular weight 349.79 g/mol, is a CATO reference standard with documented purity and traceability.
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.
As a certified reference material (CRM), 2-(4-Chlorophenyl)-2-(4-(4-fluorobenzoyl)phenyl)acetonitrile meets the metrological traceability requirements of ISO/IEC 17025 laboratories. Batch-to-batch consistency is monitored via control charts to guarantee comparable assigned values across lots.
Physical & Chemical Properties
| Molecular Formula | C21H13ClFNO |
| Molecular Weight | 349.79 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor, low volatility) |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light |
| Solubility (reference) | Soluble in chloroform, dichloromethane, ethyl acetate, DMSO |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light |
| Degree of Unsaturation (DBE) | 15.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | F/Cl-containing |
| Nitrogen Atoms | 1 |
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Recommended Standards
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- 4-Chloro-n-[2-(morpholin-4-yl)ethyl]-3-nitrobenzene-1-sulfonamide (CAS 743452-14-4)
- N1-(5-Chloropyridin-2-yl)-N2-(2-(2-methyl-1H-imidazol-1-yl)ethyl)oxalamide (CAS 1208546-56-8)
- 1171242-99-1 3-Morpholin-4-yl-3-pyridin-3-ylpropanoic acid MFCD14281845 (CAS 1171242-99-1)
- 1-(5-Ethyl-1H-indol-3-yl)-N,N-dimethylmethanamine (CAS 74367-51-4)
- 2-(2H-1,3-Benzodioxol-5-yl)-6-chloroimidazo[1,2-a]pyridine-3-carbaldehyde (CAS 893612-37-8)
- 2-(4-Formyl-2-methoxyphenoxy)-N-(2-isopropylphenyl)acetamide (CAS 591723-65-8)
- 4,5,6-Trichloropyrimidine (CAS 1780-27-4)
- 4-Oxo-6,7,8,9-tetrahydro-4H-pyrazino[1,2-a]pyrimidine-3-carbonitrile (CAS 2092038-14-5)
- (S)-N-(3-(4-Carbamimidoylbenzamido)propyl)-1-((2,4-dichloro-3-(((2,4-dimethylquinolin-8-yl)oxy)methyl)phenyl)sulfonyl)pyrrolidine-2-carboxamide (CAS 209733-45-9)
- Methyl 4-butoxy-3-methoxybenzoate (CAS 3535-28-2)
- Semaglutide impurity 62 (CAS CATO-C4X-222662)
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