3-(4-Fluorobenzoyl)-4h-1,2,4-triazole CAS 95727-87-0
| CAS No. | 95727-87-0 |
| Molecular Formula | C9H6FN3O |
| Molecular Weight | 191.16 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
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.
3-(4-Fluorobenzoyl)-4h-1,2,4-triazole (CAS 95727-87-0), molecular formula C9H6FN3O and molecular weight 191.16 g/mol, is a CATO reference standard with documented purity and traceability.
3-(4-Fluorobenzoyl)-4h-1,2,4-triazole (C9H6FN3O) 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; 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).
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 | C9H6FN3O |
| Molecular Weight | 191.16 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor, faint amine-like odor) |
| 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.) | 1984 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 3 |
Related Fluorobenzoyl Standards
- 4-(4-fluorobenzoyl)-1H-1,2,3-triazole (CAS 1416447-75-0)
- 2-(2-Fluorobenzoyl)oxazole (CAS 898759-67-6)
- 2-(4-Fluorobenzoyl)furan (CAS 15817-51-3)
- 2-(4-Fluorobenzoyl)-1h-imidazole (CAS 915920-84-2)
- 3-(2-Fluorobenzoyl)-1h-pyrrole (CAS 198126-03-3)
- 3-(3-Fluorobenzoyl)-1h-pyrrole (CAS 893612-64-1)
- 1-(2-Fluorobenzoyl)pyrrolidine (CAS 347909-09-5)
- 1-(4-Fluorobenzoyl)pyrrolidine (CAS 349644-07-1)
Recommended Standards
- 3-(3-Fluoro-phenyl)-isoxazole-5-carbaldehyde (CAS 885273-52-9)
- 3-(4-Fluorophenyl)isoxazole-5-carbaldehyde (CAS 251912-65-9)
- 3-(2-Fluoro-phenyl)-isoxazole-5-carbaldehyde (CAS 808740-52-5)
- 3-(Difluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-amine (CAS 893746-11-7)
- 2-(Pyridin-3-yl)pyrazolo[1,5-a]pyrimidin-6-amine (CAS 1269515-42-5)
- 2-(Bromomethyl)-6-chloro-4-(difluoromethyl)pyridine-3-acetic acid (CAS 1806899-97-7)
- 1-(3,5-Dichloropyrazin-2-yl)ethanone (CAS 136866-39-2)
- 1h-Indol-3-amine (CAS 7250-19-3)
- 7-(tert-Butoxycarbonyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxylic acid (CAS 1053656-19-1)
- 7-Methyl-N-(5-methylisoxazol-3-yl)-1-oxoisochromane-3-carboxamide (CAS 853890-28-5)
- 4-(3-Bromo-1H-pyrazol-1-yl)-1-methylpiperidine (CAS 2104972-39-4)
- 3,6-Dioctyloxyphthalonitrile (CAS 75942-39-1)
- 2,4-Dimethyl-1H-pyrrolo[3,2-c]pyridine (CAS 1190313-94-0)
- Liraglutide-d8 Tritrifluoroacetate (CAS CATO-C4X-199223)
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