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| IUPAC Name: | 2-(4-bromophenyl)acetonitrile |
| Description: | A chemical model used for the study and analysis of human buccal absorption of pharmaceuticals.A fundamental starting material for organic compound synthesis. |
| Molecular Weight: | 196.04 |
| Molecular Formula: | C8H6BrN |
| Canonical SMILES: | C1=CC(=CC=C1CC#N)Br |
| InChI: | InChI=1S/C8H6BrN/c9-8-3-1-7(2-4-8)5-6-10/h1-4H,5H2 |
| InChI Key: | MFHFWRBXPQDZSA-UHFFFAOYSA-N |
| Boiling Point: | 142°C at 5 Torr |
| Melting Point: | 50°C |
| Purity: | ≥95% |
| Density: | 1.487±0.06 g/cm3 |
| Solubility: | Soluble in Chloroform (Sparingly), Ethyl Acetate (Sparingly) |
| Appearance: | Off-white Solid |
| Storage: | Store at -20°C |
| MDL: | MFCD00001916 |
| LogP: | 2.51518 |
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