Benzothiazole-2-acetonitrile
- Product NameBenzothiazole-2-acetonitrile
- CAS56278-50-3
- MFC9H6N2S
- MW174.22
- EINECS627-570-9
- MOL File56278-50-3.mol
Chemical Properties
| Melting point | 98-101 °C (lit.) |
| Boiling point | 329.6±25.0 °C(Predicted) |
| Density | 1.315±0.06 g/cm3(Predicted) |
| storage temp. | 2-8°C |
| pka | 0.10±0.10(Predicted) |
| form | solid |
| color | Yellow |
| Water Solubility | Slightly soluble in water. |
| BRN | 128460 |
| InChI | InChI=1S/C9H6N2S/c10-6-5-9-11-7-3-1-2-4-8(7)12-9/h1-4H,5H2 |
| InChIKey | ZMZSYUSDGRJZNT-UHFFFAOYSA-N |
| SMILES | S1C2=CC=CC=C2N=C1CC#N |
| CAS DataBase Reference | 56278-50-3(CAS DataBase Reference) |
| NIST Chemistry Reference | 2-Cyanomethyl-1,3-benzothiazole(56278-50-3) |
Safety Information
| Hazard Codes | Xn |
| Risk Statements | 20/21/22-36/37/38 |
| Safety Statements | 26-36-36/37/39 |
| RIDADR | 3439 |
| WGK Germany | 3 |
| Hazard Note | Harmful |
| HazardClass | 6.1 |
| PackingGroup | III |
| HS Code | 2934208090 |
| 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 |
