HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 876144Generated: October 23, 2026
5-(2-Bromo-4-methylphenyl)-2-furaldehyde
CHEMBRDG-BB 5845123 · 5-(2-BROMO-4-METHYLPHENYL)-2-FURALDEHYDE · 2-Furancarboxaldehyde, 5-(2-bromo-4-methylphenyl)- · 5-(2-bromo-4-methylphenyl)-2-furaldehyde(SALTDATA: FREE)
https://huagongshe.com/en/chemical/876144
Identifiers & Physical Properties
| CAS No. | 359810-48-3 |
|---|
| Molecular formula | C12H9BrO2 |
|---|
| Average molar mass | 265.1 g/mol |
|---|
| Monoisotopic mass | 263.97859163 g/mol |
|---|
| SMILES | Cc1ccc(-c2ccc(C=O)o2)c(Br)c1 |
|---|
| InChIKey | JRJUEVPOZMWWNK-UHFFFAOYSA-N |
|---|
| PubChem CID | 876144 |
|---|
| EC No. | 109-440-9 |
|---|
| DTXSID | DTXSID50358068 |
|---|
Chemical & Physical Properties
| XLogP | 3.5 |
|---|
| Topological polar surface area | 30.2 |
|---|
| Hydrogen bond donors | 0 |
|---|
| Hydrogen bond acceptors | 2 |
|---|
| Rotatable bonds | 2 |
|---|
| Heavy atoms | 15 |
|---|
| Formal charge | 0 |
|---|
| Complexity | 232 |
|---|
| Boiling point | 367.2±42.0 °C(Predicted) |
|---|
| Density | 1.459±0.06 g/cm3(Predicted) |
|---|
| Physical state | solid |
|---|
| InChI | 1S/C12H9BrO2/c1-8-2-4-10(11(13)6-8)12-5-3-9(7-14)15-12/h2-7H,1H3 |
|---|
| InChIKey | JRJUEVPOZMWWNK-UHFFFAOYSA-N |
|---|
| SMILES | Cc1ccc(c(Br)c1)-c2ccc(C=O)o2 |
|---|
| UNSPSC Code | 12352200 |
|---|
| NACRES | NA.21 |
|---|
| GHS pictogram | GHS07 |
|---|
| Signal word | Warning |
|---|
| GHS hazard statements | H302-H319 |
|---|
| GHS precautionary statements | P305+P351+P338 |
|---|
| Hazard symbols | Xn |
|---|
| Risk statements (R) | 22-36 |
|---|
| Safety statements (S) | 26 |
|---|
| Water hazard class (WGK) | WGK 3 |
|---|
| Storage class | 11 - Combustible Solids |
|---|
| Hazard class | Acute Tox. 4 OralEye Irrit. 2 |
|---|
Safety & Regulations
| GHS classification | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, 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 | Acute Tox. 4 (100%) |
|---|
| Water hazard class (WGK) | WGK 3 |
|---|
| Risk statements (R) | 22-36 |
|---|
| Signal word | Warning |
|---|
| GHS pictogram | GHS07 |
|---|
| Hazard symbols | Xn |
|---|
| Safety statements (S) | 26 |
|---|
| Storage class | 11 - Combustible Solids |
|---|
| GHS hazard statements | H302-H319 |
|---|
| Hazard class | Acute Tox. 4 OralEye Irrit. 2 |
|---|
| GHS precautionary statements | P305+P351+P338 |
|---|