4-(Cyanomethyl)benzeneboronic acid
- Product Name4-(Cyanomethyl)benzeneboronic acid
- CAS91983-26-5
- CBNumberCB0700210
- MFC8H8BNO2
- MW160.97
- MDL NumberMFCD01632200
- 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
| Symbol(GHS) |
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| Signal word | Warning | |||||||||
| Hazard statements | H302-H315-H319-H335 | |||||||||
| Precautionary statements | P280h-P305+P351+P338 | |||||||||
| 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 | |||||||||
| NFPA 704: |
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