365400-11-9
| Name | (5-Hydroxy-1,3-dimethylpyrazol-4-yl)(α,α,α-trifluoro-2-mesyl-p-tolyl)methanone, (5-Hydroxy-1,3-dimethyl-1H-pyrazol-4-yl)[2-(methylsulfonyl)-4-(trifluoromethyl)phenyl]methanone |
| CAS | 365400-11-9 |
| EINECS(EC#) | 609-256-3 |
| Molecular Formula | C14H13F3N2O4S |
| MDL Number | MFCD11616764 |
| Molecular Weight | 362.32 |
| MOL File | 365400-11-9.mol |
Chemical Properties
| Boiling point | 515℃ |
| density | 1.49 |
| vapor pressure | 0-0Pa at 20-50℃ |
| Fp | 265℃ |
| storage temp. | Store at room temperature |
| solubility | Chloroform (Slightly), Dichloromethane (Slightly) |
| form | neat |
| pka | 6.36±0.50(Predicted) |
| Appearance | White to off-white Solid |
| PH | 3.03 at 22.9℃ and 10g/L |
| Henry's Law Constant | 7.0×108 mol/(m3Pa) at 25℃, HSDB (2015) |
| Major Application | agriculture environmental |
| InChI | 1S/C14H13F3N2O4S/c1-7-11(13(21)19(2)18-7)12(20)9-5-4-8(14(15,16)17)6-10(9)24(3,22)23/h4-6,21H,1-3H3 |
| InChIKey | DWSPRBSLSXQIEJ-UHFFFAOYSA-N |
| SMILES | Cc1nn(C)c(O)c1C(=O)c2cc(ccc2S(C)(=O)=O)C(F)(F)F |
| LogP | -1.58-0.276 at 23℃ and pH4-9 |
| Surface tension | 61.95mN/m at 1g/L and 20℃ |
| Dissociation constant | 3.97-4.25 at 23℃ |
| EPA Substance Registry System | Methanone, (5-hydroxy-1,3-dimethyl-1H-pyrazol-4-yl)[2-(methylsulfonyl)-4-(trifluoromethyl)phenyl]- (365400-11-9) |
Safety Data
| Risk Statements | |
| Safety Statements | |
| WGK Germany | 1 |
| REACH Registrations | Active |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Aquatic Acute 1 Aquatic Chronic 1 STOT RE 2 Oral |
| Hazardous Substances Data | 365400-11-9(Hazardous Substances Data) |