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| IUPAC Name: | 2-(2-chlorophenyl)acetonitrile |
| Description: | 2-Chlorobenzyl cyanide was used in the synthesis of clopidogrel, platelet aggregation inhibitor. It can also be used to synthesize non-peptide CCR1 receptor antagonists. |
| Molecular Weight: | 151.59 |
| Molecular Formula: | C8H6ClN |
| Canonical SMILES: | C1=CC=C(C(=C1)CC#N)Cl |
| InChI: | InChI=1S/C8H6ClN/c9-8-4-2-1-3-7(8)5-6-10/h1-4H,5H2 |
| InChI Key: | MRDUURPIPLIGQX-UHFFFAOYSA-N |
| Boiling Point: | 240-242 ℃ |
| Melting Point: | 21-24 ℃ |
| Flash Point: | 107.7ºC |
| Purity: | 97 % |
| Density: | 1.17 g/cm3 |
| Appearance: | Clear slightly yellow liquid after melting |
| Storage: | Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. |
| MDL: | MFCD00001898 |
| LogP: | 2.40608 |
| Refractive Index: | 1.5425-1.5445 |
| Stability: | Stable at room temperature in closed containers under normal storage and handling conditions. |
| Vapor Pressure: | 0.0177mmHg at 25°C |
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