25487-66-5
| Name | 3-Carboxyphenylboronic acid |
| CAS | 25487-66-5 |
| EINECS(EC#) | 607-734-6 |
| Molecular Formula | C7H7BO4 |
| MDL Number | MFCD00036833 |
| Molecular Weight | 165.94 |
| MOL File | 25487-66-5.mol |
Chemical Properties
| Appearance | off-white crystalline powder |
| Melting point | 243-247 °C (lit.) |
| Boiling point | 434.5±47.0 °C(Predicted) |
| density | 1.40±0.1 g/cm3(Predicted) |
| storage temp. | 0-6°C |
| solubility | DMSO (Slightly), Methanol (Slightly), Water (Slightly) |
| form | Crystalline Powder |
| pka | 4.21±0.10(Predicted) |
| color | Off-white |
| Water Solubility | 2.5 g/100 mL |
| Detection Methods | HPLC,NMR |
| BRN | 2967400 |
| InChI | InChI=1S/C7H7BO4/c9-7(10)5-2-1-3-6(4-5)8(11)12/h1-4,11-12H,(H,9,10) |
| InChIKey | DBVFWZMQJQMJCB-UHFFFAOYSA-N |
| SMILES | C(O)(=O)C1=CC=CC(B(O)O)=C1 |
| CAS DataBase Reference | 25487-66-5(CAS DataBase Reference) |
Safety Data
| Symbol(GHS) |  GHS07 |
| Signal word | Warning |
| Hazard statements | H303-H335-H315-H319 |
| Precautionary statements | P261-P280a-P304+P340-P305+P351+P338-P405-P501a-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313 |
| Hazard Codes | Xi,Xn |
| Risk Statements | |
| Safety Statements | |
| WGK Germany | 2 |
| RTECS | CY8750000 |
| Hazard Note | Irritant |
| HazardClass | IRRITANT |
| HS Code | 29319099 |
| Storage Class | 11 - Combustible Solids |
| Toxicity |
