4-Cyano-3-fluorophenyl 4-butylbenzoate CAS 86776-52-5
| CAS No. | 86776-52-5 |
| Molecular Formula | C18H16FNO2 |
| Molecular Weight | 297.32 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Under current pharmacopoeial and regulatory frameworks, quality-control requirements for this class of reference material explicitly involve the control of targets including 4-Cyano-3-fluorophenyl 4-butylbenzoate.
CATO supplies 4-Cyano-3-fluorophenyl 4-butylbenzoate (CAS 86776-52-5), a certified reference material (molecular formula C18H16FNO2, MW 297.32 g/mol) for analytical method development and quality control.
Structurally, 4-Cyano-3-fluorophenyl 4-butylbenzoate (C18H16FNO2) contains a steroid core, an amide group, a hydroxyl group, an ether linkage, fluorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 11.0, corresponding to approximately 11 ring(s) or double-bond equivalent(s). With a molecular weight of 297.32 g/mol, it falls into the medium-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.
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), 4-Cyano-3-fluorophenyl 4-butylbenzoate 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 | C18H16FNO2 |
| Molecular Weight | 297.32 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor) |
| 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, 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) | 11.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1981 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 1 |
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Recommended Standards
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- Meprobamate-β-D-Glucuronide (CAS 58569-76-9)
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- (S)-Methyl 2-(1-(tert-butoxycarbonyl)pyrrolidin-2-yl)-1H-benzo[d]imidazole-5-carboxylate (CAS 1208009-89-5)
- (S)-2-Amino-6-(methylthio)hexanoic acid (CAS 34022-36-1)
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- 3-Acetyl-2-(furan-2-yl)-1,3-thiazolidine-4-carboxylic acid (CAS 1008267-56-8)
- D-Leu26-Tirzepatide (CAS CATO-CPTD788908)
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