Products Categories
| CAS No.: | 101831-37-2 |
|---|---|
| Name: | Diclazuril |
| Article Data: | 6 |
| Cas Database | |
| Molecular Structure: | |
|
|
|
| Formula: | C17H9Cl3N4O2 |
| Molecular Weight: | 407.643 |
| Synonyms: | P 64433;2,6-Dichloro-.alpha.-(4-chlorophenyl)-4-(4,5-dihydro-3,5-dioxo-1,2,4-triazin-2(3H)- yl)benzeneacetonitrile;Benzeneacetonitrile, 2,6-dichloro-alpha-(4-chlorophenyl)-4-(4,5-dihydro-3,5-dioxo-1,2,4-triazin-2(3H)-yl)-;Benzeneacetonitrile,2,6-dichloro-R-(4-chlorophenyl)- 4-(4,5-dihydro-3,5-dioxo-1,2,4- triazin-2(3H)-yl)-;2-(4-chlorophenyl)-2-[2,6-dichloro-3-(3,5-dioxo-1,2,4-triazin-2-yl)phenyl]acetonitrile;2-(4-chlorophenyl)-2-[2,6-dichloro-4-(3,5-dioxo-1,2,4-triazin-2-yl)phenyl]acetonitrile;Diclaznril; |
| EINECS: | 1806241-263-5 |
| Density: | 1.56 g/cm3 |
| Melting Point: | 548oC |
| Boiling Point: | N/A |
| Flash Point: | N/A |
| Solubility: | Almost insoluble in water |
| Appearance: | Yellowish or white powder |
| Hazard Symbols: | N/A |
| Risk Codes: | R36/37/38 |
| Safety: | 24/25 |
| Transport Information: | N/A |
| PSA: | 91.54000 |
| LogP: | 3.53648 |
Please post your buying leads,so that our qualified suppliers will soon
contact you!
*Required Fields
The Diclazuril with CAS registry number of 101831-37-2 is also known as 2,6-Dichloro-.alpha.-(4-chlorophenyl)-4-(4,5-dihydro-3,5-dioxo-1,2,4-triazin-2(3H)- yl)benzeneacetonitrile. The IUPAC name is 2-(4-Chlorophenyl)-2-[2,6-dichloro-4-(3,5-dioxo-1,2,4-triazin-2-yl)phenyl]acetonitrile. It belongs to product categories of Veterinaries. In addition, the formula is C17H9Cl3N4O2 and the molecular weight is 407.64. This chemical is a yellowish or white powder and almost insoluble in water. It is stable at normal temperature and pressure, and it should be sealed in cool, dry room away from oxidants at the temperature of 0-6 °C. Furthermore, this chemical can be used as anticoccidial drugs.
Physical properties about Diclazuril are: (1)ACD/LogP: 2.44; (2)ACD/LogD (pH 5.5): 2.27; (3)ACD/LogD (pH 7.4): 0.98; (4)ACD/BCF (pH 5.5): 28.28; (5)ACD/BCF (pH 7.4): 1.45; (6)ACD/KOC (pH 5.5): 340.11; (7)ACD/KOC (pH 7.4): 17.49; (8)#H bond acceptors: 6; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 3; (11)Index of Refraction: 1.701; (12)Molar Refractivity: 100.72 cm3; (13)Molar Volume: 260.1 cm3; (14)Surface Tension: 60.3 dyne/cm; (15)Density: 1.56 g/cm3.
Preparation of Diclazuril: it is prepared by reaction of 2,6-dichloro-α-(4-chlorophenyl)-4-nitrophenyl acetonitrile. Firstly, 2-[3,5-dichloro-4-[(4-chlorophenyl) cyanomethyl] phenyl]-2,3,4,5-tetrahydro-3,5-1,2-dicarbonyl, 4- triazine-6-acid is generated by hydride reduction, coupling reaction, cyclization and hydrolysis with catalyst 5% platinum-carbon and solvent methanol. Then product is obtained by decarboxylation reaction with solvent mercaptoacetic acid at the temperature of 170 °C.
You can still convert the following datas into molecular structure:
1. Canonical SMILES: C1=CC(=CC=C1C(C#N)C2=C(C=C(C=C2Cl)N3C(=O)NC(=O)C=N3)Cl)Cl
2. 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)
3. InChIKey: ZSZFUDFOPOMEET-UHFFFAOYSA-N
