5122-99-6
| Name | 4-Iodophenylboronic acid |
| CAS | 5122-99-6 |
| Molecular Formula | C6H6BIO2 |
| MDL Number | MFCD01319014 |
| Molecular Weight | 247.83 |
| MOL File | 5122-99-6.mol |
Chemical Properties
| Appearance | White crystalline powder |
| Melting point | 326-330 °C (lit.) |
| Boiling point | 333.1±44.0 °C(Predicted) |
| density | 1.95±0.1 g/cm3(Predicted) |
| storage temp. | 0-6°C |
| solubility | soluble in Methanol |
| form | Powder |
| pka | 8.29±0.10(Predicted) |
| color | Light beige |
| Water Solubility | 25 g/L |
| Sensitive | Light Sensitive |
| InChI | InChI=1S/C6H6BIO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4,9-10H |
| InChIKey | PELJYVULHLKXFF-UHFFFAOYSA-N |
| SMILES | B(C1=CC=C(I)C=C1)(O)O |
| CAS DataBase Reference | 5122-99-6(CAS DataBase Reference) |
Safety Data
| Symbol(GHS) |  GHS07 |
| Signal word | Warning |
| Hazard statements | H302-H315-H319-H335 |
| Precautionary statements | P261-P264-P270-P301+P312-P302+P352-P305+P351+P338 |
| Hazard Codes | Xn,Xi |
| Risk Statements | |
| Safety Statements | |
| WGK Germany | 3 |
| HazardClass | IRRITANT |
| HS Code | 29319090 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Acute Tox. 4 Oral Eye Irrit. 2 Skin Irrit. 2 STOT SE 3 |