833486-94-5
| Name | 4-AMINO-3-NITROPHENYLBORONIC ACID, PINACOL ESTER |
| CAS | 833486-94-5 |
| Molecular Formula | C12H17BN2O4 |
| MDL Number | MFCD06795680 |
| Molecular Weight | 264.09 |
| MOL File | 833486-94-5.mol |
Chemical Properties
| Melting point | 157.1-172.4 °C |
| Boiling point | 404.0±35.0 °C(Predicted) |
| density | 1.20±0.1 g/cm3(Predicted) |
| storage temp. | Keep in dark place,Inert atmosphere,Room temperature |
| solubility | soluble in Dimethylformamide |
| form | powder to crystal |
| pka | -0.76±0.56(Predicted) |
| color | Light yellow to Amber to Dark green |
| InChI | InChI=1S/C12H17BN2O4/c1-11(2)12(3,4)19-13(18-11)8-5-6-9(14)10(7-8)15(16)17/h5-7H,14H2,1-4H3 |
| InChIKey | QOYJKGGBFKVKDP-UHFFFAOYSA-N |
| SMILES | C1(N)=CC=C(B2OC(C)(C)C(C)(C)O2)C=C1[N+]([O-])=O |
| CAS DataBase Reference | 833486-94-5(CAS DataBase Reference) |
Safety Data
| Symbol(GHS) |  GHS07 |
| Signal word | Warning |
| Hazard statements | H315-H319-H335 |
| Precautionary statements | P261-P264-P271-P280-P302+P352-P305+P351+P338 |
| Hazard Codes | Xi |
| Risk Statements | |
| Safety Statements | |
| WGK Germany | 3 |
| HS Code | 2931900090 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Eye Irrit. 2 Skin Irrit. 2 STOT SE 3 |