HuagongsheHuagongshe Chemistry Print Report · For research reference only
10-Bromoanthracene-9-boronic acid
(10-broMoanthracen-9-yl)boronic acid · 9-Bromoanthracen-10-boronic acid · 10-Bromoanthracen-9-boronic acid · 10-Bromoanthracene-9-boronic acid · 9-Bromoanthracene-10-boronic acid · Boronic acid, B-(10-bromo-9-anthracenyl)- · 10-Bromoanthracene-9-boronic acid(contains varying amounts of Anhydride)
Identifiers & Physical Properties
| CAS No. | 641144-16-3 |
|---|---|
| Molecular formula | C14H10BBrO2 |
| Average molar mass | 300.94 g/mol |
| Monoisotopic mass | 299.99572206 g/mol |
| SMILES | OB(O)c1c2ccccc2c(Br)c2ccccc12 |
| InChIKey | FAVOIVPFJSKYBE-UHFFFAOYSA-N |
| PubChem CID | 16217487 |
| EC No. | 663-919-1 |
| DTXSID | DTXSID00584416 |
Chemical & Physical Properties
| Topological polar surface area | 40.5 |
|---|---|
| Hydrogen bond donors | 2 |
| Hydrogen bond acceptors | 2 |
| Rotatable bonds | 1 |
| Heavy atoms | 18 |
| Formal charge | 0 |
| Complexity | 276 |
| Melting point | 165-169 °C (lit.) |
| Boiling point | 525.3±42.0 °C(Predicted) |
| Density | 1.60±0.1 g/cm3(Predicted) |
| Storage conditions | Inert atmosphere,Room Temperature |
| Physical state | solid |
| pKa (acidity coefficient) | 8.29±0.30(Predicted) |
| Appearance | Light yellow to yellow Solid |
| InChI | 1S/C14H10BBrO2/c16-14-11-7-3-1-5-9(11)13(15(17)18)10-6-2-4-8-12(10)14/h1-8,17-18H |
| InChIKey | FAVOIVPFJSKYBE-UHFFFAOYSA-N |
| SMILES | OB(O)c1c2ccccc2c(Br)c3ccccc13 |
| UNSPSC Code | 12352103 |
| NACRES | NA.22 |
| GHS pictogram | GHS07 |
| Signal word | Warning |
| GHS hazard statements | H315-H319-H335 |
| GHS precautionary statements | P261-P264-P271-P280-P302+P352-P305+P351+P338 |
| Target organs | Respiratory system |
| Hazard symbols | Xi |
| Risk statements (R) | 36/37/38 |
| Safety statements (S) | 26-36 |
| Customs code | 2931900090 |
| Storage class | 11 - Combustible Solids |
| Hazard class | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
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 38 reports by companies from 1 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 | 2931900090 |
| Risk statements (R) | 36/37/38 |
| Signal word | Warning |
| GHS pictogram | GHS07 |
| Hazard symbols | Xi |
| Safety statements (S) | 26-36 |
| Storage class | 11 - Combustible Solids |
| Target organs | Respiratory system |
| GHS hazard statements | H315-H319-H335 |
| Hazard class | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
| GHS precautionary statements | P261-P264-P271-P280-P302+P352-P305+P351+P338 |
Applications & Uses
Uses
Reactant for:Suzuki cross-coupling reactionsPalladium-catalyzed 1,4-addition reactions