2-Fluoro-4-isocyanato-1-(trifluoromethyl)benzene CAS 116370-63-9
| CAS No. | 116370-63-9 |
| Molecular Formula | C8H3F4NO |
| Molecular Weight | 205.11 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Under current pharmacopoeial and regulatory frameworks, quality-control requirements for this class of reference material explicitly involve the control of targets including 2-Fluoro-4-isocyanato-1-(trifluoromethyl)benzene.
2-Fluoro-4-isocyanato-1-(trifluoromethyl)benzene (CAS 116370-63-9) is a high-purity analytical reference standard with the molecular formula C8H3F4NO and a molecular weight of 205.11 g/mol.
Structurally, 2-Fluoro-4-isocyanato-1-(trifluoromethyl)benzene (C8H3F4NO) contains a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, fluorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 6.0, corresponding to approximately 6 ring(s) or double-bond equivalent(s). With a molecular weight of 205.11 g/mol, it falls into the medium-molecular-weight range. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
As a certified reference material (CRM), 2-Fluoro-4-isocyanato-1-(trifluoromethyl)benzene 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.
Physical & Chemical Properties
| Molecular Formula | C8H3F4NO |
| Molecular Weight | 205.11 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, water (slightly soluble) |
| 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.) | 1990 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 1 |
Related Fluoro Standards
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- 4-Fluoro-2-(trifluoromethoxy)benzonitrile (CAS 1323966-32-0)
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Recommended Standards
- 1H-IMIDAZOLE, 2-BROMO- 2-BROMO-1H-IMIDAZOLE 2-BROMOIMIDAZOLE 54624-57-6 BC004073 (CAS 54624-57-6)
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