125116-23-6
| Name | METCONAZOLE |
| CAS | 125116-23-6 |
| Molecular Formula | C17H22ClN3O |
| MDL Number | MFCD01632341 |
| Molecular Weight | 319.83 |
| MOL File | 125116-23-6.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) |
| form | neat |
| 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 Data
| Symbol(GHS) |    GHS07,GHS08,GHS09 |
| Signal word | Warning |
| Hazard statements | H302-H361d-H411 |
| Precautionary statements | P201-P202-P264-P273-P301+P312-P308+P313 |
| Hazard Codes | Xn,N |
| Risk Statements | |
| Safety Statements | |
| RIDADR | UN3077 9/PG 3 |
| WGK Germany | 2 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Acute Tox. 4 Oral Aquatic Chronic 2 Repr. 2 |