|
|
| | 5-chloro-3-hydroxyisothiazole Basic information |
| Product Name: | 5-chloro-3-hydroxyisothiazole | | Synonyms: | 5-Chloro-3(2H)-isothiazolone;5-Chloro-3-isothiazolol;5-Chloro-4-isothiazolin-3-one;5-chloro-3(2H)-Isothiazolone 97%;5-chloro-3-hydroxyisothiazole;5-chloroisothiazol-3-ol;3(2H)-Isothiazolone, 5-chloro-;5-chloroisothiazol-3-one | | CAS: | 25629-58-7 | | MF: | C3H2ClNOS | | MW: | 135.57 | | EINECS: | | | Product Categories: | organic building block | | Mol File: | 25629-58-7.mol |  |
| | 5-chloro-3-hydroxyisothiazole Chemical Properties |
| Melting point | 96-97 °C(Solv: water (7732-18-5)) | | density | 1.62±0.1 g/cm3(Predicted) | | storage temp. | under inert gas (nitrogen or Argon) at 2-8°C | | pka | 7.20±0.40(Predicted) | | Appearance | Off-white to yellow Solid | | InChI | InChI=1S/C3H2ClNOS/c4-2-1-3(6)5-7-2/h1H,(H,5,6) | | InChIKey | XFIPRDRBFGJGIZ-UHFFFAOYSA-N | | SMILES | S1C(Cl)=CC(=O)N1 |
| | 5-chloro-3-hydroxyisothiazole Usage And Synthesis |
| Synthesis | 5-chloro-3-hydroxyisothiazole can be synthesized from 3,3'-disulfanediyldipropionic acid and Thionyl chloride in three steps. In particular, in the last step, 5-chloro isothiazolone derivatives (5-chloro-3-hydroxyisothiazole) were the predominant products when the ratio of sulfuryl chloride/amide was 3:1 while with the relevant ratio of 1:1, the 5-unsubstituted analogs were the predominant products[1]. | | References | [1] Khalaj A, et al. Synthesis and antibacterial activity
of 2-(4-substituted phenyl)-3(2H)-isothiazolones. European Journal of Medicinal Chemistry, 2004; 39: 285–290. |
| | 5-chloro-3-hydroxyisothiazole Preparation Products And Raw materials |
|