6325-91-3
| Name | 2-MERCAPTO-5-NITROBENZIMIDAZOLE |
| CAS | 6325-91-3 |
| Molecular Formula | C7H5N3O2S |
| MDL Number | MFCD00804727 |
| Molecular Weight | 195.2 |
| MOL File | 6325-91-3.mol |
Chemical Properties
| Appearance | yellow-brown crystalline powder |
| Melting point | 274 °C (dec.) (lit.) |
| Boiling point | 348.4±44.0 °C(Predicted) |
| density | 1.4666 (rough estimate) |
| refractive index | 1.6740 (estimate) |
| storage temp. | -20°C Freezer, Under inert atmosphere |
| solubility | 1 M NaOH: soluble50mg/mL, opaque, dark red |
| form | Solid |
| pka | 9.22±0.30(Predicted) |
| color | Light Yellow to Light Orange |
| Detection Methods | HPLC,NMR |
| BRN | 172127 |
| InChI | InChI=1S/C7H5N3O2S/c11-10(12)4-1-2-5-6(3-4)9-7(13)8-5/h1-3H,(H2,8,9,13) |
| InChIKey | YPXQSGWOGQPLQO-UHFFFAOYSA-N |
| SMILES | C1(=S)NC2=CC=C([N+]([O-])=O)C=C2N1 |
| CAS DataBase Reference | 6325-91-3(CAS DataBase Reference) |
| EPA Substance Registry System | 6325-91-3(EPA Substance) |
Safety Data
| Hazard Codes | Xi |
| Risk Statements | |
| Safety Statements | |
| WGK Germany | 3 |
| TSCA | Yes |
| HS Code | 29339900 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Eye Irrit. 2 Skin Irrit. 2 STOT SE 3 |
