2,4,6-Trichloroanisole
- Product Name2,4,6-Trichloroanisole
- CAS87-40-1
- MFC7H5Cl3O
- MW211.47
- EINECS201-743-5
- MOL File87-40-1.mol
Chemical Properties
| Melting point | 60-62 °C (lit.) |
| Boiling point | 132 °C/28 mmHg (lit.) |
| Density | 1.6400 |
| refractive index | 1.5510 (estimate) |
| Flash point | 11 °C |
| storage temp. | room temp |
| solubility | benzene: soluble(lit.) |
| form | powder to crystal |
| color | White to Almost white |
| Water Solubility | 13.2mg/L(25 ºC) |
| Merck | 13,9702 |
| BRN | 2329219 |
| Henry's Law Constant | 2.3×10-2 mol/(m3Pa) at 25℃, Wu et al. (2022) |
| Stability | Stable. Incompatible with strong oxidizing agents. |
| InChI | 1S/C7H5Cl3O/c1-11-7-5(9)2-4(8)3-6(7)10/h2-3H,1H3 |
| InChIKey | WCVOGSZTONGSQY-UHFFFAOYSA-N |
| SMILES | COc1c(Cl)cc(Cl)cc1Cl |
| LogP | 4.110 |
Safety Information
| Hazard Codes | Xn,T,F |
| Risk Statements | 22-36-39/23/24/25-23/24/25-11 |
| Safety Statements | 26-45-36/37-16-7 |
| RIDADR | UN 1230 3/PG 2 |
| WGK Germany | 3 |
| HS Code | 2909.30.6000 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Acute Tox. 4 Oral Aquatic Chronic 4 Eye Irrit. 2 |