4,6-difluoro-1-(fluoromethyl)-1H-1,3-benzodiazole CAS 1329166-97-3
| CAS No. | 1329166-97-3 |
| Molecular Formula | C8H5F3N2 |
| Molecular Weight | 186.13 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
As a certified reference material (CRM), 4,6-difluoro-1-(fluoromethyl)-1H-1,3-benzodiazole 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.
4,6-difluoro-1-(fluoromethyl)-1H-1,3-benzodiazole (CAS 1329166-97-3), molecular formula C8H5F3N2 and molecular weight 186.13 g/mol, is a CATO reference standard with documented purity and traceability.
The molecular framework of 4,6-difluoro-1-(fluoromethyl)-1H-1,3-benzodiazole (C8H5F3N2) is characterized by a nitrogen-containing heterocyclic scaffold, a nitrile group, fluorine substitution. In reversed-phase chromatography, its retention is governed primarily by the protonation state of its nitrogen-containing groups, which provides a practical basis for HPLC-UV/DAD or LC-MS method development. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
Physical & Chemical Properties
| Molecular Formula | C8H5F3N2 |
| Molecular Weight | 186.13 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 DMSO, DMF, methanol |
| 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.) | 1991 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 2 |
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Recommended Standards
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- 6-Methyl-4-(trifluoromethyl)nicotinonitrile (CAS 13600-49-2)
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- 2,6-Diamino-3-(2,3,5-trichlorophenyl)-pyrazine (CAS 212778-82-0)
- 4-Bromo-1-chloro-2-(2,2,2-trifluoroethoxy)benzene (CAS 855342-99-3)
- 6-chloro-3,5-diazatricyclo[6.2.2.0²,⁷]dodeca-2,4,6-triene (CAS 2306275-71-6)
- 2-[2-(4-Oxopiperidin-1-yl)ethyl]isoindole-1,3-dione (CAS 1484355-05-6)
- Ethyl 4-[(chlorosulfonyl)methyl]benzoate (CAS 446847-82-1)
- 3-(Pyridin-4-yl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole (CAS 114722-58-6)
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