3-Trifluoromethylbenzyl isocyanide CAS 602261-89-2
| CAS No. | 602261-89-2 |
| Molecular Formula | C9H6F3N |
| Molecular Weight | 185.15 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
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.
3-Trifluoromethylbenzyl isocyanide (CAS 602261-89-2) is a high-purity analytical reference standard with the molecular formula C9H6F3N and a molecular weight of 185.15 g/mol.
Owing to a nitrogen-containing heterocyclic scaffold, a nitrile group, fluorine substitution, 3-Trifluoromethylbenzyl isocyanide is typically off-white to pale yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 185.15 g/mol — guide the selection of appropriate sample preparation and analytical techniques. 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 | C9H6F3N |
| Molecular Weight | 185.15 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.) | 1985 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 1 |
Related Trifluoromethylbenzyl Standards
Recommended Standards
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- 4-Ethoxy-2-fluoro-1-nitrobenzene (CAS 28987-48-6)
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- 4-Methyl-2-(trifluoromethyl)benzonitrile (CAS 261952-05-0)
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