HuagongsheHuagongshe Chemistry Print Report · For research reference only
Ethyl 4-(2-bromoacetyl)benzoate
Ethyl 4-(2’-Bromoacetyl)benzoate · 4-(2-BroMoacetyl)benzoic Acid Ethyl Ester · Benzoic acid, 4-(2-bromoacetyl)-, ethyl ester
Identifiers & Physical Properties
| CAS No. | 81590-55-8 |
|---|---|
| Molecular formula | C11H11BrO3 |
| Average molar mass | 271.11 g/mol |
| Monoisotopic mass | 269.98915631 g/mol |
| SMILES | CCOC(=O)c1ccc(C(=O)CBr)cc1 |
| InChIKey | XMIVTAOFQJBIGO-UHFFFAOYSA-N |
| PubChem CID | 11966043 |
| EC No. | 856-223-6 |
| DTXSID | DTXSID30474891 |
Chemical & Physical Properties
| XLogP | 3.3 |
|---|---|
| Topological polar surface area | 43.4 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 3 |
| Rotatable bonds | 5 |
| Heavy atoms | 15 |
| Formal charge | 0 |
| Complexity | 232 |
| Melting point | 75-76 °C(Solv: hexane (110-54-3)) |
| Boiling point | 355.4±22.0 °C(Predicted) |
| Density | 1.437±0.06 g/cm3(Predicted) |
| Storage conditions | Store at Room Tem. |
| Solubility | Chloroform, Dichloromethane, Methanol |
| Physical state | Solid |
| Color | White |
| GHS pictogram | GHS07,GHS05 |
| Signal word | Danger |
| GHS hazard statements | H335-H315-H318 |
| GHS precautionary statements | P264-P280-P302+P352-P321-P332+P313-P362-P280-P305+P351+P338-P310 |
Safety & Regulations
| GHS classification | DangerH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Signal word | Danger |
| GHS pictogram | GHS07,GHS05 |
| GHS hazard statements | H335-H315-H318 |
| GHS precautionary statements | P264-P280-P302+P352-P321-P332+P313-P362-P280-P305+P351+P338-P310 |
Applications & Uses
Uses
Ethyl 4-(2’-Bromoacetyl)benzoate is an intermediate used in the preparation of various enzymatic inhibitors.