588-22-7
| Name | 3,4-D |
| CAS | 588-22-7 |
| EINECS(EC#) | 209-612-4 |
| Molecular Formula | C8H6Cl2O3 |
| MDL Number | MFCD00004303 |
| Molecular Weight | 221.04 |
| MOL File | 588-22-7.mol |
Chemical Properties
| Melting point | 138-140 °C(lit.) |
| Boiling point | 316.96°C (rough estimate) |
| density | 1.4564 (rough estimate) |
| refractive index | 1.5000 (estimate) |
| Fp | 2 °C |
| storage temp. | APPROX 4°C |
| solubility | DMSO (Slightly), Methanol (Slightly) |
| form | Crystalline Powder |
| pka | 2.99±0.10(Predicted) |
| color | White |
| Water Solubility | 457.6mg/L(25 ºC) |
| InChI | 1S/C8H6Cl2O3/c9-6-2-1-5(3-7(6)10)13-4-8(11)12/h1-3H,4H2,(H,11,12) |
| InChIKey | SNYRXHULAWEECU-UHFFFAOYSA-N |
| SMILES | OC(=O)COc1ccc(Cl)c(Cl)c1 |
Safety Data
| Hazard Codes | Xi,Xn,F |
| Risk Statements | |
| Safety Statements | |
| RIDADR | 2811 |
| WGK Germany | 3 |
| RTECS | AG6830000 |
| HazardClass | 6.1(b) |
| PackingGroup | III |
| HS Code | 2918999090 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Eye Irrit. 2 Skin Irrit. 2 Skin Sens. 1 STOT SE 3 |
