
78587-05-0
| Name | Hexythiazox |
| CAS | 78587-05-0 |
| EINECS(EC#) | 616-638-3 |
| Molecular Formula | C17H21ClN2O2S |
| MDL Number | MFCD00137385 |
| Molecular Weight | 352.88 |
| MOL File | 78587-05-0.mol |
Chemical Properties
| Melting point | 108-108.5°C |
| Boiling point | 128°C (rough estimate) |
| density | 1.1354 (rough estimate) |
| refractive index | 1.6100 (estimate) |
| Fp | 100 °C |
| storage temp. | 0-6°C |
| solubility | DMF: 5 mg/ml,DMF:PBS(pH 7.2)(1:1): 0.5 mg/ml,DMSO: 2 mg/ml,Ethanol: 0.2 mg/ml |
| Water Solubility | Insoluble in water |
| form | neat |
| pka | 12.77±0.20(Predicted) |
| color | White to Almost white |
| BRN | 9001643 |
| Henry's Law Constant | 4.2×102 mol/(m3Pa) at 25℃, HSDB (2015) |
| Major Application | agriculture environmental |
| InChI | InChI=1/C17H21ClN2O2S/c1-11-15(12-7-9-13(18)10-8-12)23-17(22)20(11)16(21)19-14-5-3-2-4-6-14/h7-11,14-15H,2-6H2,1H3,(H,19,21)/t11-,15+/s3 |
| InChIKey | XGWIJUOSCAQSSV-ICMWTWRANA-N |
| SMILES | S1[C@H](C2=CC=C(Cl)C=C2)[C@@H](C)N(C(NC2CCCCC2)=O)C1=O |&1:1,9,r| |
| CAS DataBase Reference | 78587-05-0(CAS DataBase Reference) |
| EPA Substance Registry System | 78587-05-0(EPA Substance) |
Safety Data
| Symbol(GHS) | ![]() ![]() GHS07,GHS09 |
| Signal word | Warning |
| Hazard statements | H332-H410 |
| Precautionary statements | P261-P271-P273-P304+P340+P312-P391-P501 |
| Hazard Codes | N |
| Risk Statements | |
| Safety Statements | |
| RIDADR | UN 3077 |
| WGK Germany | 2 |
| RTECS | XJ5396000 |
| HS Code | 29341000 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Aquatic Acute 1 Aquatic Chronic 1 |
| Hazardous Substances Data | 78587-05-0(Hazardous Substances Data) |

