585-76-2
| Name | 3-Bromobenzoic acid |
| CAS | 585-76-2 |
| EINECS(EC#) | 209-562-3 |
| Molecular Formula | C7H5BrO2 |
| MDL Number | MFCD00002487 |
| Molecular Weight | 201.02 |
| MOL File | 585-76-2.mol |
Chemical Properties
| Appearance | White to light yellow crystal powder |
| Melting point | 155-158 °C(lit.) |
| Boiling point | >280 °C |
| density | 1,948 g/cm3 |
| refractive index | 1.6080 (estimate) |
| storage temp. | Sealed in dry,Room Temperature |
| solubility | methanol: soluble50mg/mL, clear, colorless |
| form | Powder |
| pka | 3.86(at 25℃) |
| color | White to light beige |
| Water Solubility | 0.54 g/L (32 ºC) |
| BRN | 2041792 |
| InChI | 1S/C7H5BrO2/c8-6-3-1-2-5(4-6)7(9)10/h1-4H,(H,9,10) |
| InChIKey | VOIZNVUXCQLQHS-UHFFFAOYSA-N |
| SMILES | OC(=O)c1cccc(Br)c1 |
| CAS DataBase Reference | 585-76-2(CAS DataBase Reference) |
| NIST Chemistry Reference | Benzoic acid, 3-bromo-(585-76-2) |
| EPA Substance Registry System | 585-76-2(EPA Substance) |
Safety Data
| Symbol(GHS) |  GHS07 |
| Signal word | Warning |
| Hazard statements | H315-H319-H335 |
| Precautionary statements | P261-P264-P271-P280-P302+P352-P305+P351+P338 |
| Hazard Codes | Xi |
| Risk Statements | |
| Safety Statements | |
| WGK Germany | 3 |
| Hazard Note | Irritant |
| TSCA | Yes |
| REACH Registrations | Active |
| HS Code | 29163900 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Eye Irrit. 2 Skin Irrit. 2 STOT SE 3 |