HuagongsheHuagongshe Chemistry Print Report · For research reference only
2-Ethylphenylboronic Acid (contains varying amounts of Anhydride)
2-ETHYLBENZENEBORONIC ACID · AKOS BRN-0241 · 2-ETHYLPHENYLBORONIC · 2-EthylphenylboronicAci · O-ETHYLPHENYLBORONIC ACID · 2-Ethylphenylboronic acid · boronic acid, (2-ethylphenyl)- · 2-Ethylbenzeneboronic acid, 98+%
Identifiers & Physical Properties
| CAS No. | 90002-36-1 |
|---|---|
| Molecular formula | C8H11BO2 |
| Average molar mass | 149.98 g/mol |
| Monoisotopic mass | 150.08520999 g/mol |
| SMILES | CCc1ccccc1B(O)O |
| InChIKey | QSSPYZOSTJDTTL-UHFFFAOYSA-N |
| PubChem CID | 4100862 |
| EC No. | 677-274-9 |
| DTXSID | DTXSID60399321 |
Chemical & Physical Properties
| Topological polar surface area | 40.5 |
|---|---|
| Hydrogen bond donors | 2 |
| Hydrogen bond acceptors | 2 |
| Rotatable bonds | 2 |
| Heavy atoms | 11 |
| Formal charge | 0 |
| Complexity | 117 |
| Melting point | 102.5-107.5 °C(lit.) |
| Boiling point | 299.1±33.0 °C(Predicted) |
| Density | 1.07±0.1 g/cm3(Predicted) |
| Storage conditions | Keep in dark place,Sealed in dry,Room Temperature |
| Physical state | powder to crystal |
| pKa (acidity coefficient) | 8.61±0.58(Predicted) |
| Color | White to Almost white |
| BRN | 2963801 |
| InChI | 1S/C8H11BO2/c1-2-7-5-3-4-6-8(7)9(10)11/h3-6,10-11H,2H2,1H3 |
| InChIKey | QSSPYZOSTJDTTL-UHFFFAOYSA-N |
| SMILES | CCc1ccccc1B(O)O |
| CAS DataBase Reference | 90002-36-1(CAS DataBase Reference) |
| UNSPSC Code | 12352103 |
| GHS pictogram | GHS07 |
| Signal word | Warning |
| GHS hazard statements | H335-H315-H319 |
| GHS precautionary statements | P261-P280a-P304+P340-P305+P351+P338-P405-P501a-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313 |
| Personal protective equipment (PPE) | Eyeshields, Gloves, type N95 (US) |
| Hazard symbols | Xi |
| Risk statements (R) | 36/37/38 |
| Safety statements (S) | 26-36-36/37-37 |
| Water hazard class (WGK) | 3 |
| Hazard class | IRRITANT |
| Customs code | 29319090 |
| Storage class | 13 - Non Combustible Solids |
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 5 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Personal protective equipment (PPE) | Eyeshields, Gloves, type N95 (US) |
| Water hazard class (WGK) | 3 |
| Customs code | 29319090 |
| Risk statements (R) | 36/37/38 |
| Signal word | Warning |
| GHS pictogram | GHS07 |
| Hazard symbols | Xi |
| Safety statements (S) | 26-36-36/37-37 |
| Hazard class | IRRITANT |
| Storage class | 13 - Non Combustible Solids |
| GHS hazard statements | H335-H315-H319 |
| GHS precautionary statements | P261-P280a-P304+P340-P305+P351+P338-P405-P501a-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313 |
Applications & Uses
Uses
Reactant for:Palladium-catalyzed cross-couplingEnantioselective Hayashi-Miyaura reactionPd-catalyzed Suzuki-Miyaura reaction