(4-Fluorophenyl)(5-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepin-1-yl)methanone CAS 439109-70-3
| CAS No. | 439109-70-3 |
| Molecular Formula | C13H10F4N2O |
| Molecular Weight | 286.22 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
(4-Fluorophenyl)(5-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepin-1-yl)methanone (C13H10F4N2O) 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 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).
(4-Fluorophenyl)(5-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepin-1-yl)methanone (CAS 439109-70-3) is a high-purity analytical reference standard with the molecular formula C13H10F4N2O and a molecular weight of 286.22 g/mol.
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 | C13H10F4N2O |
| Molecular Weight | 286.22 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, keep tightly closed to prevent evaporation |
| Solubility (reference) | Soluble in DMSO, DMF, methanol |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light |
| Degree of Unsaturation (DBE) | 8.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 2 |
Related Fluorophenyl Standards
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- 3-[7-(4-fluorophenyl)[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]propanoic acid (CAS 1018052-29-3)
- N-((5-(2-Fluorophenyl)isoxazol-3-yl)methyl)furan-2-carboxamide (CAS 1040638-36-5)
- 2-(4-Fluorophenyl)-5-methoxypyrazolo[1,5-a]pyridine-3-carboxylic acid (CAS 1215106-29-8)
- 2-(4-Fluorophenyl)-2-(7-oxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)acetic acid (CAS 1218657-27-2)
- 1-(4-Fluorophenyl)-5-(1H-pyrrol-1-yl)-1H-1,2,3-triazole-4-carbohydrazide (CAS 1325303-57-8)
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Recommended Standards
- (E)-2-(4-(tert-Butyl)styryl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CAS 1892603-13-2)
- 1,2-Bis(4-hydroxyphenyl)-1,1,2,2-tetrafluoroethane (CAS 433719-69-8)
- 5-(benzyloxy)-2-fluoro-3-(trifluoromethyl)phenol (CAS 1881295-25-5)
- 2-(4-Cyclohexylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CAS 820223-94-7)
- 2,2＇,4,5,5＇-Pentachlorobiphenyl-3＇,4＇,6＇-d3 (CAS 1219794-68-9)
- 6,7-Dihydro-5H-cyclopenta[c]pyridine-1,5-diamine (CAS 2096419-60-0)
- Gadolinium(III) carbonate (CAS 5895-49-8)
- 5-Methyl-6-oxo-1,4,5,6-tetrahydropyrazine-2,3-dicarbonitrile (CAS 57444-05-0)
- 1-(2-(4-(Dimethylamino)phenyl)-4-methylthiazol-5-yl)ethan-1-one (CAS 923863-82-5)
- 3-Acetylcyclopentan-1-one (CAS 84602-27-7)
- Acetylcysteine Impurity 6 (CAS 55748-93-1)
- N-(3-cyano-6-(tert-pentyl)-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)tetrahydrofuran-2-carboxamide (CAS 313385-99-8)
- 2-(3-(Hydroxymethyl)piperidin-1-yl)benzoic acid (CAS 1457416-91-9)
- KALA Amphipathic Peptide (CAS 187987-64-0)
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