HuagongsheHuagongshe Chemistry Print Report · For research reference only
3-Bromo-2-furaldehyde
3-BROMO-FURAN-2-CARBALDEHYDE · 3-bromofurfural · 3-Bromo-2-furaldehyde · 3-BROMO-2-FORMYLFURAN · 3-Bromo-2-furaldehyde98% · 3-Bromo-2-furaldehyde 98% · 3-Bromo-2-furancarbaldehyde · 3-Bromofuran-2-carboxaldehyde
Identifiers & Physical Properties
| CAS No. | 14757-78-9 |
|---|---|
| Molecular formula | C5H3BrO2 |
| Average molar mass | 174.98 g/mol |
| Monoisotopic mass | 173.93164144 g/mol |
| SMILES | O=Cc1occc1Br |
| InChIKey | KSAVZSUPQGDMRC-UHFFFAOYSA-N |
| PubChem CID | 3367271 |
| EC No. | 683-389-5 |
| DTXSID | DTXSID20391861 |
Chemical & Physical Properties
| XLogP | 1.5 |
|---|---|
| Topological polar surface area | 30.2 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 2 |
| Rotatable bonds | 1 |
| Heavy atoms | 8 |
| Formal charge | 0 |
| Complexity | 94.4 |
| Boiling point | 219.6±20.0℃ (760 Torr) |
| Density | 1.748±0.06 g/cm3 (20 ºC 760 Torr) |
| Flash point | 86.6±21.8℃ |
| Storage conditions | Inert atmosphere,Store in freezer, under -20°C |
| Physical state | powder to lump to clear liquid |
| Color | White or Colorless to Yellow |
| InChI | InChI=1S/C5H3BrO2/c6-4-1-2-8-5(4)3-7/h1-3H |
| InChIKey | KSAVZSUPQGDMRC-UHFFFAOYSA-N |
| SMILES | O1C=CC(Br)=C1C=O |
| UNSPSC Code | 12352200 |
| GHS pictogram | GHS07 |
| Signal word | Warning |
| GHS hazard statements | H302-H319 |
| GHS precautionary statements | P305+P351+P338 |
| Hazard symbols | Xi,Xn |
| Risk statements (R) | 22 |
| Water hazard class (WGK) | WGK 3 |
| Hazard Note | Irritant |
| Customs code | 2932190090 |
| Storage class | 11 - Combustible Solids |
| Hazard class | Acute Tox. 4 OralEye Irrit. 2 |
Safety & Regulations
| GHS classification | WarningH302 (92.9%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 42 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (92.9%) |
| Water hazard class (WGK) | WGK 3 |
| Customs code | 2932190090 |
| Risk statements (R) | 22 |
| Signal word | Warning |
| GHS pictogram | GHS07 |
| Hazard symbols | Xi,Xn |
| hazard_note | Irritant |
| Storage class | 11 - Combustible Solids |
| GHS hazard statements | H302-H319 |
| Hazard class | Acute Tox. 4 OralEye Irrit. 2 |
| GHS precautionary statements | P305+P351+P338 |
Applications & Uses
Uses
3-Bromo-furan-2-carbaldehyde belongs to furan derivatives and can be used as pharmaceutical intermediates.