5-Chloro-2-methyl-4-isothiazolin-3-one (CAS NO : 26172-55-4)
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Chemical Properties & Specifications
Identifiers of 5-Chloro-2-methyl-4-isothiazolin-3-one
Canonical Smiles
CN1C(=O)C=C(S1)Cl
Inchi Key
DHNRXBZYEKSXIM-UHFFFAOYSA-N
Inchi
InChI=1S/C4H4ClNOS/c1-6-4(7)2-3(5)8-6/h2H,1H3
CAS Number
26172-55-4
Molecular Formula
C4H4ClNOS
IUPAC
5-chloro-2-methyl-1,2-thiazol-3-one
Properties of 5-Chloro-2-methyl-4-isothiazolin-3-one
melting_point
54-55 °C
solubility
Solubility in g/100 mL solvent: water, infinite
density
For a mixture of 5-chloro-2-methyl-3(2H)-isothiazolone and 2-methyl-3(2H)-isothiazolone: Clear light amber liquid; density: 1.256 - 1.296 g/mL at 20-25 °C; viscosity: 11.4 cP at 25.7 °C
logP
log Kow = 0.401 at 24 °C
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