3-Bromo-4-methylbenzoic acid
- Product Name3-Bromo-4-methylbenzoic acid
- CAS7697-26-9
- MFC8H7BrO2
- MW215.04
- EINECS231-712-1
- MOL File7697-26-9.mol
Chemical Properties
| Melting point | 200-202 °C (lit.) 200-204 °C |
| Boiling point | 329.8±30.0 °C(Predicted) |
| Density | 1.599±0.06 g/cm3(Predicted) |
| storage temp. | Sealed in dry,Room Temperature |
| form | powder to crystal |
| pka | 3.98±0.10(Predicted) |
| color | White to Light yellow to Light orange |
| Water Solubility | Soluble in methanol. Insoluble in water. |
| BRN | 1936510 |
| InChI | 1S/C8H7BrO2/c1-5-2-3-6(8(10)11)4-7(5)9/h2-4H,1H3,(H,10,11) |
| InChIKey | ZFJOMUKPDWNRFI-UHFFFAOYSA-N |
| SMILES | Cc1ccc(cc1Br)C(O)=O |
| CAS DataBase Reference | 7697-26-9(CAS DataBase Reference) |
Safety Information
| Hazard Codes | Xn,Xi |
| Risk Statements | 22-36/37/38-37/38-36 |
| Safety Statements | 26-37 |
| RIDADR | UN 2811 6.1/PG 3 |
| WGK Germany | 3 |
| HazardClass | IRRITANT |
| PackingGroup | Ⅲ |
| HS Code | 29163990 |
| Storage Class | 6.1C - Combustible acute toxic Cat.3 toxic compounds or compounds which causing chronic effects |
| Hazard Classifications | Acute Tox. 3 Oral Eye Irrit. 2 Skin Irrit. 2 STOT SE 3 |
