4-Cyano-3,5-difluorophenyl 4-(but-3-en-1-yl)benzoate CAS 208528-35-2
| CAS No. | 208528-35-2 |
| Molecular Formula | C18H13F2NO2 |
| Molecular Weight | 313.30 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of 4-Cyano-3,5-difluorophenyl 4-(but-3-en-1-yl)benzoate is closely related to a steroid core, an amide group, a hydroxyl group, an ether linkage, fluorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
4-Cyano-3,5-difluorophenyl 4-(but-3-en-1-yl)benzoate (CAS 208528-35-2) is a high-purity analytical reference standard with the molecular formula C18H13F2NO2 and a molecular weight of 313.30 g/mol.
Structurally, 4-Cyano-3,5-difluorophenyl 4-(but-3-en-1-yl)benzoate (C18H13F2NO2) contains a steroid core, an amide group, a hydroxyl group, an ether linkage, fluorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 12.0, corresponding to approximately 12 ring(s) or double-bond equivalent(s). With a molecular weight of 313.30 g/mol, it falls into the moderately-high-molecular-weight range. The high carbon-to-hydrogen ratio imparts good lipophilicity, allowing liquid-liquid extraction with non-polar solvents such as n-hexane or ethyl acetate.
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
As a certified reference material (CRM), 4-Cyano-3,5-difluorophenyl 4-(but-3-en-1-yl)benzoate 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 | C18H13F2NO2 |
| Molecular Weight | 313.30 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; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 12.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2016 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 1 |
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Recommended Standards
- 4,6-Dimethoxy-2-methyl-3-(3-nitrophenyl)benzofuran (CAS 922140-88-3)
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- 6-Hydroxy-4,7-dimethoxy-N-phenylbenzofuran-5-carboxamide (CAS 88258-54-2)
- Isopropyl (4-bromobenzoyl)glycinate (CAS 1097536-13-4)
- Methyl 3-(5-{[4-(trifluoromethoxy)phenyl]carbamoyl}furan-2-yl)thiophene-2-carboxylate (CAS 320417-59-2)
- (4-Bromophenyl)(piperidin-3-yl)methanol (CAS 1094282-91-3)
- (R)-1-(5-(Trifluoromethyl)pyridin-2-yl)ethanamine dihydrochloride (CAS 2061996-68-5)
- (2R,3R)-3-Hydroxy-2-(hydroxymethyl)-2,3-dihydro-4H-pyran-4-one (CAS 14125-64-5)
- 1-(2-Nitrophenyl)-4-oxocyclohexanecarboxylic Acid (CAS 1385694-66-5)
- N-((1H-Indol-3-yl)methylene)-4-bromoaniline (CAS 111601-51-5)
- 1-(Ethylsulfonyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)piperidine (CAS 2377606-65-8)
- 6-Hydroxyisoquinoline (CAS 7651-82-3)
- Ephrin-A2-Selective YSA-Peptide (CAS 532441-10-4)
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