3-[4-Fluoro-3-(trifluoromethyl)phenyl]-3-oxopropanenitrile CAS 677713-06-3
| CAS No. | 677713-06-3 |
| Molecular Formula | C10H5F4NO |
| Molecular Weight | 231.15 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 231.15 g/mol gives 3-[4-Fluoro-3-(trifluoromethyl)phenyl]-3-oxopropanenitrile distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
3-[4-Fluoro-3-(trifluoromethyl)phenyl]-3-oxopropanenitrile (CAS 677713-06-3) is a high-purity analytical reference standard with the molecular formula C10H5F4NO and a molecular weight of 231.15 g/mol.
The molecular framework of 3-[4-Fluoro-3-(trifluoromethyl)phenyl]-3-oxopropanenitrile (C10H5F4NO) is characterized by a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, fluorine substitution. In reversed-phase chromatography, its retention is governed primarily by its high hydrophobicity (logP), which provides a practical basis for HPLC-UV/DAD or LC-MS method development. 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 | C10H5F4NO |
| Molecular Weight | 231.15 g/mol |
| Appearance | Off-white to pale 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, DMSO |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light |
| Degree of Unsaturation (DBE) | 7.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1985 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 1 |
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Recommended Standards
- 2-Bromo-4-isopropylbenzenethiol (CAS 211637-73-9)
- 4,4,4-Trifluoro-2-(3-fluorophenyl)-3-oxobutanenitrile (CAS 954238-37-0)
- 2,4-Difluoro-5-nitrophenyl propionate (CAS 924868-80-4)
- 4,4,4-Trifluoro-2-(4-fluorophenyl)-3-oxobutanenitrile (CAS 3108-23-4)
- (2S,5S)-(+)-Hexanediol (CAS 34338-96-0)
- 6-Methoxy-4,4-dimethyl-1,2,3,4-tetrahydroisoquinoline (CAS 62245-15-2)
- 2,3,4-Triphenyl-2H-pyrazolo[3,4-d]pyridazin-7(6H)-one (CAS 63514-98-7)
- 3-Fluoro-5-(trifluoromethoxy)pyridin-4-amine (CAS 1361914-83-1)
- 1-Phenyl-1,4-diazepane (CAS 61903-27-3)
- N-Ethyl-1,3-thiazol-2-amine (CAS 13472-75-8)
- 1-(1H-tetrazol-1-ylacetyl)piperazine (CAS 923183-58-8)
- N,N-dimethyl-1-(4-(piperidin-2-yl)phenyl)methanamine (CAS 1177342-76-5)
- 2H-Cyclohepta[b]furan-2-one (CAS 4481-35-0)
- Liraglutide Impurity 26 (CAS CATO-C4X-199226)
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