HuagongsheHuagongshe Chemistry Print Report · For research reference only
1-Benzofuran-3-yl acetate
3-ACETOXYBENZOFURAN · 3-Benzofuryl Acetate · 3-ACETOXYBENZO[B]FURAN · benzofuran-3-yl acetate · 3-Acetoxybenzofuran,99% · 3-Acetoxybenzo[b]furane · 1-benzofuran-3-yl acetate · 3-Benzofuranol, 3-acetate
Identifiers & Physical Properties
| CAS No. | 93680-80-9 |
|---|---|
| Molecular formula | C10H8O3 |
| Average molar mass | 176.17 g/mol |
| Monoisotopic mass | 176.04734412 g/mol |
| SMILES | CC(=O)Oc1coc2ccccc12 |
| InChIKey | XCBLZAJCKKRBED-UHFFFAOYSA-N |
| PubChem CID | 2769621 |
| EC No. | 449-680-4 |
| DTXSID | DTXSID70377796 |
Chemical & Physical Properties
| XLogP | 2.1 |
|---|---|
| Topological polar surface area | 39.4 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 3 |
| Rotatable bonds | 2 |
| Heavy atoms | 13 |
| Formal charge | 0 |
| Complexity | 202 |
| Boiling point | 264.2±13.0 °C(Predicted) |
| Density | 1.223±0.06 g/cm3(Predicted) |
| Refractive index | 1.543-1.545 |
| Physical state | Liquid |
| Color | Clear light yellow |
| Solubility | Insoluble |
| BRN | 4989473 |
| GHS pictogram | GHS07,GHS09 |
| Signal word | Warning |
| GHS hazard statements | H317-H410-H400 |
| GHS precautionary statements | P261-P272-P280-P302+P352-P333+P313-P321-P363-P501-P273-P391-P501-P273-P391-P501 |
| Hazard symbols | Xn |
| Risk statements (R) | 22 |
| Safety statements (S) | 24/25 |
| Customs code | 29329900 |
Safety & Regulations
| GHS classification | WarningH317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]P261, P272, P273, P280, P302+P352, P321, P333+P317, P362+P364, P391, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 37 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatory information | Status: Active Update: 19-09-2011 https://echa.europa.eu/registration-dossier/-/registered-dossier/3545 |
| Hazard Classes and Categories | Skin Sens. 1B (100%)Skin Sens. 1 (100%) |
| Customs code | 29329900 |
| Risk statements (R) | 22 |
| Signal word | Warning |
| GHS pictogram | GHS07,GHS09 |
| Hazard symbols | Xn |
| Safety statements (S) | 24/25 |
| GHS hazard statements | H317-H410-H400 |
| GHS precautionary statements | P261-P272-P280-P302+P352-P333+P313-P321-P363-P501-P273-P391-P501-P273-P391-P501 |
Applications & Uses
Uses
3-Acetoxybenzo[b]furan is a useful intermediate used in the synthesis of various pharmaceutically and biologically active compounds.