Thiencarbazone-methyl
- Product NameThiencarbazone-methyl
- CAS317815-83-1
- CBNumberCB32552292
- MFC12H14N4O7S2
- MW390.39
- MDL NumberMFCD15146774
- MOL File317815-83-1.mol
- MSDS FileSDS
Chemical Properties
| Melting point | 205°C |
| Density | 1.65±0.1 g/cm3(Predicted) |
| storage temp. | 2-8°C |
| solubility | Solubilities in organic solvents (g/l at 20 °C) Dimethylsulfoxide: 29.15 Ethyl acetate: 2.19 Acetone: 9.54 Ethanol: 0.23 Toluene: 0.91 |
| pka | 3.0 (at 20 °C) |
| Water Solubility | Solubility in water (at 20 °C) : 72 mg/l (unbuffered) 172 mg/l (pH 4) 436 mg/l (pH 7) 417 mg/l (pH 9) |
| Henry's Law Constant | 2.1×1012 mol/(m3Pa) at 25℃, Maniere et al. (2011) |
| Major Application | agriculture environmental |
| InChI | InChI=1S/C12H14N4O7S2/c1-6-8(7(5-24-6)9(17)22-3)25(20,21)14-10(18)16-12(19)15(2)11(13-16)23-4/h5H,1-4H3,(H,14,18) |
| InChIKey | XSKZXGDFSCCXQX-UHFFFAOYSA-N |
| SMILES | C1SC(C)=C(S(NC(N2C(=O)N(C)C(OC)=N2)=O)(=O)=O)C=1C(OC)=O |
| LogP | 0.093 (est) |
| FDA UNII | 1MX00PIM4H |
| EPA Substance Registry System | 3-Thiophenecarboxylic acid, 4-[[[(4,5-dihydro-3-methoxy-4-methyl-5-oxo-1H-1,2,4-triazol-1-yl)carbonyl]amino]sulfonyl]-5-methyl-, methyl ester (317815-83-1) |
| UNSPSC Code | 41116107 |
| NACRES | NA.24 |
Safety
| Symbol(GHS) |
|
| Signal word | Warning |
| Hazard statements | H410 |
| Precautionary statements | P273-P391-P501 |
| Hazard Codes | N |
| Risk Statements | 50/53 |
| Safety Statements | 60-61 |
| RIDADR | UN 3077 9 / PGIII |
| WGK Germany | 2 |
| HS Code | 29350090 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Aquatic Acute 1 Aquatic Chronic 1 |