PRODUCT Properties
| Melting point: | 156-160 °C(lit.) |
| Boiling point: | 230.2±23.0 °C(Predicted) |
| Density | 1.037 g/mL at 25 °C(lit.) |
| Flash point: | >110 °C |
| storage temp. | Keep in dark place,Sealed in dry,Room Temperature |
| form | Solid |
| color | Pale yellow |
| Water Solubility | Slightly soluble in water. |
| InChI | 1S/C9H5N/c1-2-8-3-5-9(7-10)6-4-8/h1,3-6H |
| InChIKey | LAGNMUUUMQJXBF-UHFFFAOYSA-N |
| SMILES | C#Cc1ccc(cc1)C#N |
Description and Uses
4-Ethynylbenzonitrile is used as a synthetic fragment and as a test compound for cross-coupling reactions. It is used in the study of hydrogen bond formation in multifunctional molecules due to the presence of four hydrogen bonding sites. It is also involved in the preparation of 4-[(trimethylsilyl)ethynyl]benzonitrile.
Safety
| Symbol(GHS) |  GHS07 |
| Signal word | Warning |
| Hazard statements | H315-H319-H335 |
| Precautionary statements | P261-P264-P271-P280-P302+P352-P305+P351+P338 |
| target organs | Respiratory system |
| PPE | dust mask type N95 (US), Eyeshields, Gloves |
| Hazard Codes | Xi,Xn |
| Risk Statements | 36/37/38-20/21/22 |
| Safety Statements | 26-36 |
| WGK Germany | 3 |
| HS Code | 2926907090 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Eye Irrit. 2 Skin Irrit. 2 STOT SE 3 |
