METCONAZOLE
- Product NameMETCONAZOLE
- CAS125116-23-6
- MFC17H22ClN3O
- MW319.83
- EINECS
- MOL File125116-23-6.mol
Chemical Properties
| Melting point | 111.5°C |
| Boiling point | 285°C (rough estimate) |
| Density | 1.1888 (rough estimate) |
| refractive index | 1.5800 (estimate) |
| storage temp. | -20°C |
| solubility | Chloroform (Slightly), Dichloromethane (Slightly), Methanol (Slightly) |
| pka | 13.82±0.60(Predicted) |
| BRN | 8333708 |
| Henry's Law Constant | 3.8×103 mol/(m3Pa) at 25℃, Duchowicz et al. (2020) |
| Major Application | agriculture environmental |
| InChI | InChI=1S/C17H22ClN3O/c1-16(2)8-7-14(9-13-3-5-15(18)6-4-13)17(16,22)10-21-12-19-11-20-21/h3-6,11-12,14,22H,7-10H2,1-2H3 |
| InChIKey | XWPZUHJBOLQNMN-UHFFFAOYSA-N |
| SMILES | C1(CN2C=NC=N2)(O)C(CC2=CC=C(Cl)C=C2)CCC1(C)C |
| EPA Substance Registry System | Metconazole (125116-23-6) |
Safety Information
| Hazard Codes | Xn,N |
| Risk Statements | 22-51/53 |
| Safety Statements | 60 |
| RIDADR | UN3077 9/PG 3 |
| WGK Germany | 2 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Acute Tox. 4 Oral Aquatic Chronic 2 Repr. 2 |
