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| IUPAC Name: | 2-[2-(trifluoromethyl)phenyl]acetonitrile |
| Description: | 2-(Trifluoromethyl)-benzeneacetonitrile was used to prepare non-peptide CCR1 receptor antagonists. It was also used to synthesize cyclopentimidazopyridinone and related compounds as interleukin-6 inhibitors. |
| Molecular Weight: | 185.15 |
| Molecular Formula: | C9H6F3N |
| Canonical SMILES: | C1=CC=C(C(=C1)CC#N)C(F)(F)F |
| InChI: | InChI=1S/C9H6F3N/c10-9(11,12)8-4-2-1-3-7(8)5-6-13/h1-4H,5H2 |
| InChI Key: | QXDCZSJGEUSERL-UHFFFAOYSA-N |
| Boiling Point: | 92 °C / 11 mmHg |
| Melting Point: | 32-35 °C (lit.) |
| Purity: | 95 % |
| Density: | 1.241 g/cm3 |
| Appearance: | Off-white low melting crystalline solid |
| MDL: | MFCD00001903 |
| LogP: | 2.77148 |
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