2-(Cyanomethyl)benzimidazole
- Product Name2-(Cyanomethyl)benzimidazole
- CAS4414-88-4
- MFC9H7N3
- MW157.17
- EINECS224-574-9
- MOL File4414-88-4.mol
Chemical Properties
| Melting point | 200-205 °C (dec.)(lit.) |
| Boiling point | 271.83°C (rough estimate) |
| Density | 1.2279 (rough estimate) |
| refractive index | 1.5330 (estimate) |
| storage temp. | Sealed in dry,Room Temperature |
| form | powder to crystal |
| pka | 11.01±0.10(Predicted) |
| color | White to Brown |
| Water Solubility | Insoluble in water. |
| BRN | 128461 |
| Cosmetics Ingredients Functions | HAIR DYEING |
| InChI | 1S/C9H7N3/c10-6-5-9-11-7-3-1-2-4-8(7)12-9/h1-4H,5H2,(H,11,12) |
| InChIKey | BWOVACANEIVHST-UHFFFAOYSA-N |
| SMILES | N#CCc1nc2ccccc2[nH]1 |
| CAS DataBase Reference | 4414-88-4(CAS DataBase Reference) |
| EPA Substance Registry System | 1H-Benzimidazole-2-acetonitrile (4414-88-4) |
Safety Information
| Hazard Codes | Xn |
| Risk Statements | 20/21/22-36/37/38 |
| Safety Statements | 26-37/39-24/25 |
| RIDADR | 3276 |
| WGK Germany | 3 |
| RTECS | DD5650000 |
| TSCA | TSCA listed |
| HazardClass | 6.1 |
| PackingGroup | III |
| HS Code | 29332900 |
| Storage Class | 13 - Non 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 |
| Toxicity | LD50 ivn-mus: 56 mg/kg CSLNX* NX#04148 |
