HuagongsheHuagongshe Chemistry Print Report · For research reference only
(3-Fluoro-5-methoxyphenyl)boronic acid
uoro-5-methoxyphenyL · 3-Borono-5-fluoroanisole · 3-Fluoro-5-Methoxyphenylboroni · 3-Fluoro-5-methoxyphenylboronicaci · 3-Fluoro-5-methoxyphenylboronic acid · 3-FLUORO-5-METHOXYBENZENEBORONIC ACID · 3-Fluoro-5-methoxybenzeneboronicacid98% · 3-Fluoro-5-methoxyphenylboronic acid ,98%
Identifiers & Physical Properties
| CAS No. | 609807-25-2 |
|---|---|
| Molecular formula | C7H8BFO3 |
| Average molar mass | 169.95 g/mol |
| Monoisotopic mass | 170.05505274 g/mol |
| SMILES | COc1cc(F)cc(B(O)O)c1 |
| InChIKey | MQFKLCWETPKBCH-UHFFFAOYSA-N |
| PubChem CID | 2763243 |
| EC No. | 672-940-5 |
| DTXSID | DTXSID80376836 |
Chemical & Physical Properties
| Topological polar surface area | 49.7 |
|---|---|
| Hydrogen bond donors | 2 |
| Hydrogen bond acceptors | 4 |
| Rotatable bonds | 2 |
| Heavy atoms | 12 |
| Formal charge | 0 |
| Complexity | 145 |
| Melting point | 168-172 |
| Boiling point | 305.5±52.0 °C(Predicted) |
| Density | 1.26±0.1 g/cm3(Predicted) |
| Storage conditions | Keep in dark place,Sealed in dry,Room Temperature |
| Physical state | powder to crystal |
| pKa (acidity coefficient) | 7.07±0.10(Predicted) |
| Color | White to Almost white |
| InChI | 1S/C7H8BFO3/c1-12-7-3-5(8(10)11)2-6(9)4-7/h2-4,10-11H,1H3 |
| InChIKey | MQFKLCWETPKBCH-UHFFFAOYSA-N |
| SMILES | COc1cc(F)cc(c1)B(O)O |
| CAS DataBase Reference | 609807-25-2(CAS DataBase Reference) |
| UNSPSC Code | 12352106 |
| 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) | 20/21/22-36/37/38-22 |
| Safety statements (S) | 26-36-36/37/39 |
| Water hazard class (WGK) | WGK 3 |
| Hazard class | IRRITANTEye Irrit. 2Skin Irrit. 2 |
| Customs code | 29163990 |
| Storage class | 11 - 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 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Water hazard class (WGK) | WGK 3 |
| Customs code | 29163990 |
| Risk statements (R) | 20/21/22-36/37/38-22 |
| Signal word | Warning |
| GHS pictogram | GHS07 |
| Hazard symbols | Xi,Xn |
| Safety statements (S) | 26-36-36/37/39 |
| Hazard class | IRRITANTEye Irrit. 2Skin Irrit. 2 |
| Storage class | 11 - Combustible Solids |
| GHS hazard statements | H315-H319-H335 |
| GHS precautionary statements | P261-P280a-P304+P340-P305+P351+P338-P405-P501a |
Applications & Uses
Uses
suzuki reaction