106791-37-1

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106791-37-1 Structure

Identification	Back Directory
[Name] 5-CHLORO-6-(2,3-DICHLOROPHENOXY)-2-METHYLSULFONYL-1H-BENZIMIDAZOLE
[CAS] 106791-37-1
[Synonyms] 133008 CGA 110753 Triclabendazole sulfone Triclabendazole Sulfone Standard Triclabendazole Impurity 5(Triclabendazole Sulfone) 5-CHLORO-6-(2,3-DICHLOROPHENOXY)-2-METHYLSULFONYL-1H-BENZIMIDAZOLE 6-Chloro-5-(2,3-dichlorophenoxy)-2-(methylsulfonyl)-1H-benzimidazole 5-chloro-6-(2,3-dichlorophenoxy)-2-(methylsulfonyl)-1H-benzo[d]imidazole
[Molecular Formula] C14H9Cl3N2O3S
[MDL Number] MFCD28969705
[MOL File] 106791-37-1.mol
[Molecular Weight] 391.66

Chemical Properties	Back Directory
[Melting point ] approximate 197℃ (dec.)
[Boiling point ] 547.3±60.0 °C(Predicted)
[density ] 1.609±0.06 g/cm3(Predicted)
[storage temp. ] -20°C Freezer
[solubility ] Methanol (Slightly, Heated)
[form ] neat
[pka] 6.37±0.10(Predicted)
[color ] Off-White
[BRN ] 18516857
[Major Application] forensics and toxicology pharmaceutical (small molecule)
[InChI] 1S/C14H9Cl3N2O3S/c1-23(20,21)14-18-9-5-8(16)12(6-10(9)19-14)22-11-4-2-3-7(15)13(11)17/h2-6H,1H3,(H,18,19)
[InChIKey] ZEIHWBIRYIXBSV-UHFFFAOYSA-N
[SMILES] CS(=O)(=O)c1nc2cc(Cl)c(Oc3cccc(Cl)c3Cl)cc2[nH]1

Safety Data	Back Directory
[WGK Germany ] 3
[Storage Class] 11 - Combustible Solids

Hazard Information	Back Directory
[Uses] Triclabendazole Sulfone is a metabolite of Triclabendazole (T774175), the only anthelmintic drug, which is active against immature, mature and adult stages of fluke.

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