3-Bromobenzoic acid
- Product Name3-Bromobenzoic acid
- CAS585-76-2
- MFC7H5BrO2
- MW201.02
- EINECS209-562-3
- MOL File585-76-2.mol
Chemical Properties
| 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 | m-Bromobenzoic acid (585-76-2) |
Safety Information
| Hazard Codes | Xi |
| Risk Statements | 36/37/38-37/38-36 |
| Safety Statements | 26-36-37/39 |
| WGK Germany | 3 |
| Hazard Note | Irritant |
| TSCA | TSCA listed |
| HS Code | 29163990 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Eye Irrit. 2 Skin Irrit. 2 STOT SE 3 |