3,5-Difluoro-4-(trifluoromethyl)benzonitrile CAS 261945-30-6
| CAS No. | 261945-30-6 |
| Molecular Formula | C8H2F5N |
| Molecular Weight | 207.10 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
As a certified reference material (CRM), 3,5-Difluoro-4-(trifluoromethyl)benzonitrile 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.
3,5-Difluoro-4-(trifluoromethyl)benzonitrile (CAS 261945-30-6) is a high-purity analytical reference standard with the molecular formula C8H2F5N and a molecular weight of 207.10 g/mol.
3,5-Difluoro-4-(trifluoromethyl)benzonitrile (C8H2F5N) contains a nitrogen-containing heterocyclic scaffold, a nitrile group, fluorine substitution. Halogen substitution raises its density and boiling point; these physicochemical properties determine the optimal preparation and storage of its standard solutions. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
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.
Physical & Chemical Properties
| Molecular Formula | C8H2F5N |
| Molecular Weight | 207.10 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 methanol, acetonitrile, 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.) | 2025 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 1 |
Related Difluoro Standards
- 2,4-Difluoro-3-(trifluoromethyl)benzonitrile (CAS 1440535-21-6)
- 2,6-Difluoro-4-(trifluoromethyl)benzonitrile (CAS 1803828-56-9)
- 2,4-Difluoro-6-(trifluoromethyl)benzonitrile (CAS 1805057-04-8)
- 2,6-Difluoro-3-(trifluoromethyl)benzonitrile (CAS 1806333-92-5)
- 2,5-Difluoro-3-(trifluoromethyl)benzonitrile (CAS 1806389-43-4)
- 3,5-Difluoro-2-(trifluoromethyl)benzonitrile (CAS 1806397-97-6)
- 2,3-Difluoro-6-(trifluoromethyl)benzonitrile (CAS 186517-05-5)
- 2,3-Difluoro-4-(trifluoromethyl)benzonitrile (CAS 240122-24-1)
Recommended Standards
- 2,5-Difluoro-4-(trifluoromethyl)benzonitrile (CAS 261945-24-8)
- Pentafluorophenylacetonitrile (CAS 653-30-5)
- 2,4-Difluoro-5-(trifluoromethyl)benzonitrile (CAS 261945-18-0)
- 5-Nitro-4-(trifluoromethyl)pyridin-2-amine (CAS 1000152-83-9)
- (R)-5-CF3-Pyox-iPr (CAS 2010973-00-7)
- Thioformamide (40-50% w/w in THF) (CAS 115-08-2)
- (R)-1-Benzyl-3-(4-fluorobenzyl)piperazine (CAS 192661-22-6)
- 3-Amino-N-(4-fluorophenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]thieno[3,2-e]pyridine-2-carboxamide (CAS 420835-61-6)
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- Semaglutide impurity 55 (CAS CATO-C4X-222655)
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