5-(Difluoromethoxy)-2-mercapto-1H-benzimidazole
- Product Name5-(Difluoromethoxy)-2-mercapto-1H-benzimidazole
- CAS97963-62-7
- MFC8H6F2N2OS
- MW216.21
- EINECS417-780-7;619-308-7
- MOL File97963-62-7.mol
Chemical Properties
| Melting point | 239-243 °C(lit.) |
| Boiling point | 303.5±52.0 °C(Predicted) |
| Density | 1.52±0.1 g/cm3(Predicted) |
| storage temp. | Sealed in dry,Store in freezer, under -20°C |
| solubility | DMSO (Slightly), Methanol (Slightly) |
| pka | 9.77±0.30(Predicted) |
| color | Pale Yellow |
| InChI | InChI=1S/C8H6F2N2OS/c9-7(10)13-4-1-2-5-6(3-4)12-8(14)11-5/h1-3,7H,(H2,11,12,14) |
| InChIKey | HJMVPNAZPFZXCP-UHFFFAOYSA-N |
| SMILES | C1(=S)NC2=CC=C(OC(F)F)C=C2N1 |
| CAS DataBase Reference | 97963-62-7(CAS DataBase Reference) |
Safety Information
| Hazard Codes | Xi |
| Risk Statements | 36/37/38 |
| Safety Statements | 26-36-36/37 |
| WGK Germany | 3 |
| HazardClass | IRRITANT |
| HS Code | 29339900 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Eye Irrit. 2 Skin Irrit. 2 STOT SE 3 |