3-Fluoro-4-hexyloxybenzonitrile CAS 223136-94-5
| CAS No. | 223136-94-5 |
| Molecular Formula | C13H16FNO |
| Molecular Weight | 221.27 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 221.27 g/mol gives 3-Fluoro-4-hexyloxybenzonitrile distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
3-Fluoro-4-hexyloxybenzonitrile (CAS 223136-94-5), molecular formula C13H16FNO and molecular weight 221.27 g/mol, is a CATO reference standard with documented purity and traceability.
3-Fluoro-4-hexyloxybenzonitrile (C13H16FNO) contains a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, fluorine substitution. Halogen substitution raises its density and boiling point, its high carbon-to-hydrogen ratio confers good lipid solubility; these physicochemical properties determine the optimal preparation and storage of its standard solutions. The aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
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 | C13H16FNO |
| Molecular Weight | 221.27 g/mol |
| 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 |
| Degree of Unsaturation (DBE) | 6.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2020 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 1 |
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- 6-(4-Fluoro-2-methylphenoxy)hexanenitrile (CAS 1443331-38-1)
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Recommended Standards
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- 2-methyl-5-sulfamoylbenzoic acid (CAS 20532-14-3)
- 4-((1,1-Dioxidotetrahydrothiophen-3-yl)amino)butanoic acid (CAS 51070-62-3)
- (S)-2-Amino-N-(4-nitrophenyl)-3-phenylpropanamide hydrochloride (CAS 140400-06-2)
- 5-Methanesulfinylpentanenitrile (CAS 61121-66-2)
- 5-Bromo-3,6-dimethylbenzofuran-2-carboxamide (CAS 35351-29-2)
- Ethyl 2-((trans)-4-acetamidocyclohexyl)acetate (CAS 946598-99-8)
- Melatonin Impurity 24 (CAS CATO-C4X-229224)
- (1S,6R)-3-Azabicyclo[4.1.0]heptane-1-carboxylic acid (CAS 1485826-61-6)
- (2-Amino-pyridin-4-yl)-carbamic acid tert-butyl ester (CAS 128619-01-2)
- 1,2,2-Triphenylethan-1-ol (CAS 2294-93-1)
- Argatroban Impurity 82 (Mixture of Diastereomers) (CAS CATO-C4X-100782)
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