HuagongsheHuagongshe Chemistry Print Report · For research reference only
Methyl 4,5-Dibromo-2-furancarboxylate
Methyl-4,5-dibromo-2-furoate · Methyl 4,5-Dibromo-2-furancarboxylate · methyl 4,5-dibromofuran-2-carboxylate · 4,5-Dibromo-2-furoic Acid Methyl Ester · 4,5-Dibromofuran-2-carboxylicacid methyl ester · 4,5-Dibromo-2-furancarboxylic Acid Methyl Ester · 2-Furancarboxylic acid, 4,5-dibromo-, methyl ester

Identifiers & Physical Properties
| CAS No. | 54113-41-6 |
|---|---|
| Molecular formula | C6H4Br2O3 |
| Average molar mass | 283.9 g/mol |
| Monoisotopic mass | 281.85271819 g/mol |
| SMILES | COC(=O)c1cc(Br)c(Br)o1 |
| InChIKey | OIOPUTCGINQNRL-UHFFFAOYSA-N |
| PubChem CID | 4135083 |
| EC No. | 622-458-6 |
| DTXSID | DTXSID30399732 |
Chemical & Physical Properties
| XLogP | 2.9 |
|---|---|
| Topological polar surface area | 39.4 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 3 |
| Rotatable bonds | 2 |
| Heavy atoms | 11 |
| Formal charge | 0 |
| Complexity | 162 |
| Melting point | 56.0 to 60.0 °C |
| Boiling point | 110°C/0.8mmHg(lit.) |
| Density | 1.992±0.06 g/cm3(Predicted) |
| Storage conditions | under inert gas (nitrogen or Argon) at 2-8°C |
| Solubility | Chloroform, Dichloromethane, Ethyl Acetate, Methanol |
| Physical state | Solid |
| Color | Off White |
| GHS pictogram | GHS07 |
| Signal word | Warning |
| GHS hazard statements | H315-H319-H335 |
| GHS precautionary statements | P280-P261 |
| Customs code | 2932190090 |
Safety & Regulations
| GHS classification | WarningH302 (97.5%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (97.5%) |
| Customs code | 2932190090 |
| Signal word | Warning |
| GHS pictogram | GHS07 |
| GHS hazard statements | H315-H319-H335 |
| GHS precautionary statements | P280-P261 |
Applications & Uses
Uses
Methyl 4,5-dibromo-2-furoate is an intermediate in the synthesis of 4-Amino-2-furancarboxylic Acid (A609680), which is the characteristic structural element of the Proximicins. Proximicin A, B and C, are novel aminofuran antibiotic and anticancer compounds isolated from marine strains of the actinomycete Verrucosispora.