| Identification | |
| Name: | 3(2H)-Isothiazolone,5-chloro-2-methyl-, hydrochloride (1:1) |
| Synonyms: | 3(2H)-Isothiazolone,5-chloro-2-methyl-, hydrochloride (9CI);4-Isothiazolin-3-one, 5-chloro-2-methyl-,hydrochloride (8CI);5-Chloro-2-methyl-3-isothiazolone hydrochloride;5-Chloro-2-methyl-4-isothiazolin-3-one hydrochloride; |
| CAS: | 26530-03-0 |
| EINECS: | 247-760-1 |
| Molecular Formula: | C4H4ClNOS.HCl |
| Molecular Weight: | 149.59866 |
| InChI: | InChI=1S/C4H4ClNOS/c1-6-4(7)2-3(5)8-6/h2H,1H3 |
| Molecular Structure: |  |
| Properties | |
| Melting Point: | 52ºC |
| Flash Point: | 74.9 ºC |
| Boiling Point: | 200.2 ºC |
| Density: | 1.51 g/cm3 |
| Water Solubility: | Disperse in aqueous and oil based system in water |
| Solubility: | Disperse in aqueous and oil based system in water |
| Appearance: | Yellow liquid |
| Specification: |
The 5-Chloro-2-methyl-2H-isothiazol-3-one hydrochloride with the CAS number 26530-03-0 is also called 3(2H)-Isothiazolone,5-chloro-2-methyl-, hydrochloride (1:1). The IUPAC name is 5-chloro-2-methyl-1,2-thiazol-3-one hydrochloride. Its molecular formula is C4H4ClNOS.HCl. The EINECS registry number is 247-760-1. The properties of the 5-Chloro-2-methyl-2H-isothiazol-3-one hydrochloride are: (1)ACD/LogP: 0.24; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.24; (4)ACD/LogD (pH 7.4): 0.24; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 32.35; (8)ACD/KOC (pH 7.4): 32.35; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 45.61 Å2; (13)Enthalpy of Vaporization: 43.64 kJ/mol; (14)Vapour Pressure: 0.328 mmHg at 25°C. You can still convert the following datas into molecular structure: |
| Flash Point: | 74.9 ºC |
| Safety Data | |
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