21382-98-9
| Name | 4-(METHYLTHIO)BENZONITRILE |
| CAS | 21382-98-9 |
| EINECS(EC#) | 628-745-2 |
| Molecular Formula | C8H7NS |
| MDL Number | MFCD00010381 |
| Molecular Weight | 149.21 |
| MOL File | 21382-98-9.mol |
Chemical Properties
| Melting point | 61-63 °C(lit.) |
| Boiling point | 272 °C(lit.) |
| density | 1.1442 (rough estimate) |
| refractive index | 1.6000 (estimate) |
| form | solid |
| Water Solubility | Insoluble in water. |
| BRN | 2079565 |
| InChI | 1S/C8H7NS/c1-10-8-4-2-7(6-9)3-5-8/h2-5H,1H3 |
| InChIKey | RPVGEEHGKIFQFO-UHFFFAOYSA-N |
| SMILES | CSc1ccc(cc1)C#N |
| CAS DataBase Reference | 21382-98-9(CAS DataBase Reference) |
| EPA Substance Registry System | Benzonitrile, 4-(methylthio)- (21382-98-9) |
Safety Data
| Hazard Codes | Xn |
| Risk Statements | |
| Safety Statements | |
| RIDADR | 3276 |
| WGK Germany | 3 |
| HazardClass | 6.1 |
| PackingGroup | III |
| HS Code | 2930909899 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Acute Tox. 4 Dermal Acute Tox. 4 Inhalation Acute Tox. 4 Oral Eye Irrit. 2 Skin Irrit. 2 STOT SE 3 |