HuagongsheHuagongshe Chemistry Print Report · For research reference only
(2-Aminophenyl)boronic acid
2-Boronoaniline · CHEMBRDG-BB 3201036 · 2-Aminophenylboronicaci · AMinobenzeneboronic acid · 2-AMINOPHENYLBORONIC ACID · o-Aminophenylboronic Acid · 2-AMINOBENZENEBORONIC ACID · 2-Aminobenzeneboronicacid,96%
Identifiers & Physical Properties
| CAS No. | 5570-18-3 |
|---|---|
| Molecular formula | C6H8BNO2 |
| Average molar mass | 136.95 g/mol |
| Monoisotopic mass | 137.0648089 g/mol |
| SMILES | Nc1ccccc1B(O)O |
| InChIKey | DIRRKLFMHQUJCM-UHFFFAOYSA-N |
| PubChem CID | 2773216 |
| EC No. | 611-303-8 |
| DTXSID | DTXSID50901275 |
Chemical & Physical Properties
| Topological polar surface area | 66.5 |
|---|---|
| Hydrogen bond donors | 3 |
| Hydrogen bond acceptors | 3 |
| Rotatable bonds | 1 |
| Heavy atoms | 10 |
| Formal charge | 0 |
| Complexity | 110 |
| Melting point | 188-190°C |
| Boiling point | 346.9±44.0 °C(Predicted) |
| Density | 1.23±0.1 g/cm3(Predicted) |
| Storage conditions | under inert gas (nitrogen or Argon) at 2–8 °C |
| Physical state | solid |
| pKa (acidity coefficient) | 8.83±0.53(Predicted) |
| Color | light yellow |
| BRN | 2962939 |
| CAS DataBase Reference | 5570-18-3(CAS DataBase Reference) |
| GHS pictogram | GHS07 |
| Signal word | Warning |
| GHS hazard statements | H315-H319-H335 |
| GHS precautionary statements | P261-P280a-P304+P340-P305+P351+P338-P405-P501a |
| Hazard symbols | Xi,Xn |
| Risk statements (R) | 36/37/38-20/21/22 |
| Safety statements (S) | 26-36/37/39-37-36 |
| Hazard Note | Harmful |
| Customs code | 29310095 |
Safety & Regulations
| GHS classification | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 8 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Customs code | 29310095 |
| Risk statements (R) | 36/37/38-20/21/22 |
| Signal word | Warning |
| GHS pictogram | GHS07 |
| Hazard symbols | Xi,Xn |
| hazard_note | Harmful |
| Safety statements (S) | 26-36/37/39-37-36 |
| GHS hazard statements | H315-H319-H335 |
| GHS precautionary statements | P261-P280a-P304+P340-P305+P351+P338-P405-P501a |
Applications & Uses
Uses
2-Aminobenzeneboronic acid derivative is used in the synthesis of quinolines by reacting with alpha, beta unsaturated ketones. Its hydrochloride derivative is used in the preparation of designed boronate ligands for glucose-selective holographic sensors.
Uses
2-Aminophenylboronic acid is used in the preparation of affinity sites for antibacterial drugs like ampicillin. A useful synthesis intermediate.