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| IUPAC Name: | 2-(bromomethyl)benzonitrile |
| Description: | 2-(Bromomethyl)benzonitrile is an intermediate in the synthesis of Alogliptin, a dipeptidyl peptidase-4 (DPP-4) inhibitor in the class of oral antidiabetic drugs. |
| Molecular Weight: | 196.04 |
| Molecular Formula: | C8H6BrN |
| Canonical SMILES: | C1=CC=C(C(=C1)CBr)C#N |
| InChI: | InChI=1S/C8H6BrN/c9-5-7-3-1-2-4-8(7)6-10/h1-4H,5H2 |
| InChI Key: | QGXNHCXKWFNKCG-UHFFFAOYSA-N |
| Boiling Point: | 264.6±15.0 °C at 760 mmHg |
| Melting Point: | 72-74 °C (lit.) |
| Purity: | 98 % |
| Density: | 1.5±0.1 g/cm3 |
| Appearance: | White to light yellow crystal powder |
| MDL: | MFCD00001794 |
| LogP: | 2.45318 |
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Nitrogen Compounds
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
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