4-(CYANOMETHYL)BENZENEBORONIC ACID
- Product Name4-(CYANOMETHYL)BENZENEBORONIC ACID
- CAS91983-26-5
- MFC8H8BNO2
- MW160.97
- EINECS
- MOL File91983-26-5.mol
Chemical Properties
| Melting point | 138-142°C |
| Boiling point | 375.7±44.0 °C(Predicted) |
| Density | 1.20±0.1 g/cm3(Predicted) |
| storage temp. | under inert gas (nitrogen or Argon) at 2-8°C |
| solubility | soluble in Methanol |
| form | powder to crystal |
| pka | 8.49±0.10(Predicted) |
| color | White to Light yellow |
| BRN | 3031323 |
| InChI | 1S/C8H8BNO2/c10-6-5-7-1-3-8(4-2-7)9(11)12/h1-4,11-12H,5H2 |
| InChIKey | YKVMTTIYBSVPEQ-UHFFFAOYSA-N |
| SMILES | OB(O)c1ccc(CC#N)cc1 |
| CAS DataBase Reference | 91983-26-5(CAS DataBase Reference) |
Safety Information
| Hazard Codes | Xi |
| Risk Statements | 20/21/22-36/37/38 |
| Safety Statements | 26-36/37/39 |
| RIDADR | 3439 |
| WGK Germany | WGK 3 |
| Hazard Note | Irritant |
| HazardClass | 6.1 |
| PackingGroup | III |
| HS Code | 2931900090 |
| Storage Class | 11 - Combustible Solids |