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CAS Number: 26530-03-0
5-chloro-2-methylisothiazol-3(2H)-one hydrochloride

Structure

 5-chloro-2-methylisothiazol-3(2H)-one hydrochloride
Name: 5-chloro-2-methylisothiazol-3(2H)-one hydrochloride
Synonyms:
General Information
Product Number: 26530030

CAS Registry Number 26530-03-0
(Component: 26172-55-4)
Name:
3(2H)?-?Isothiazolone, 5-?chloro-?2-?methyl-?, hydrochloride (1:1)
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

 

Chemical Formula: C4H5Cl2NOS
Exact Mass: 184.95
Molecular Weight: 186.06
m/z: 184.95 (100.0%), 186.94 (68.4%), 188.94 (13.1%), 185.95 (5.2%), 187.95 (3.0%)

 

InChI:InChI=1S/C4H4ClNOS.ClH/c1-6-4(7)2-3(5)8-6;/h2H,1H3;1H

InChI Key:RGVYUPIYFIVQDS-UHFFFAOYSA-N

Canonical SMILES:CN1C(=O)C=C(S1)Cl.Cl

Specification

98%
References

PCT Int. Appl. (2010), WO 2010113857 A1 20101007.                                 

Yingyong Huagong (2010), 39(9), 1348-1350.                                 
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