101831-37-2
| Name | Diclazuril |
| CAS | 101831-37-2 |
| EINECS(EC#) | 1806241-263-5 |
| Molecular Formula | C17H9Cl3N4O2 |
| MDL Number | MFCD00867203 |
| Molecular Weight | 407.64 |
| MOL File | 101831-37-2.mol |
Chemical Properties
| Melting point | 290.5° |
| density | 1.56±0.1 g/cm3(Predicted) |
| storage temp. | 0-6°C |
| solubility | DMF: 5mg/mL; DMSO: 5mg/mL; DMSO:PBS (pH 7.2) (1:5): 0.16mg/mL |
| form | neat |
| pka | 5.89±0.20(Predicted) |
| color | White to Light yellow to Light orange |
| Merck | 14,3080 |
| Major Application | forensics and toxicology pharmaceutical (small molecule) |
| InChI | InChI=1S/C17H9Cl3N4O2/c18-10-3-1-9(2-4-10)12(7-21)16-13(19)5-11(6-14(16)20)24-17(26)23-15(25)8-22-24/h1-6,8,12H,(H,23,25,26) |
| InChIKey | ZSZFUDFOPOMEET-UHFFFAOYSA-N |
| SMILES | C1(C=C(C(C(C#N)C2=CC=C(Cl)C=C2)=C(Cl)C=1)Cl)N1N=CC(=O)NC1=O |
| LogP | 2.439 (est) |
| CAS DataBase Reference | 101831-37-2(CAS DataBase Reference) |
Safety Data
| Symbol(GHS) |  GHS08 |
| Signal word | Warning |
| Hazard statements | H361d-H373 |
| Precautionary statements | P202-P260-P280-P308+P313-P405-P501 |
| Safety Statements | |
| WGK Germany | 2 |
| RTECS | CY1697600 |
| HS Code | 29336990 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Repr. 2 STOT RE 2 |