4,5-Dichloro-2H-octyl-3(2H)-isothiazolone
4,5-Dichloro-2H-octyl-3(2H)-isothiazolone Structure
Systematic / IUPAC Name: 4,5-Dichloro-2-octyl-1,2-thiazol-3-one
ID: Reference8757
Other Names:
Kathon 930;
3(2H)-Isothiazolone, 4,5-dichloro-2-octyl-;
4,5-Dichloro-2-n-octyl-3(2H)-isothiazolone;
4,5-Dichloro-2-n-octyl-3-isothiazolone;
4,5-Dichloro-2-n-octyl-4-isothiazolin-3-one
; more
Formula: C11H17Cl2NOS
Class: Extractables/Leachables Pesticides/Herbicides Textile Chemicals/Auxiliary/Dyes
Spectral Data
4,5-Dichloro-2H-octyl-3(2H)-isothiazolone mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.
Available MS Data
| Used Instruments | Orbitrap Fusion with FAIMS |
| No. of Spectral Trees | 1 |
| No. of Spectra | 405 |
| Tandem Spectra | MS1, MS2, MS3 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 3/29/2019 9:45:15 AM |
Identificators
| InChI | InChI=1S/C11H17Cl2NOS/c1-2-3-4-5-6-7-8-14-11(15)9(12)10(13)16-14/h2-8H2,1H3 |
| InChI Key | PORQOHRXAJJKGK-UHFFFAOYSA-N |
| Canonical SMILES | CCCCCCCCN1C(=O)C(=C(S1)Cl)Cl |
| CAS | 64359815 |
| Splash | |
| Other Names |
Kathon 930; 3(2H)-Isothiazolone, 4,5-dichloro-2-octyl-; 4,5-Dichloro-2-n-octyl-3(2H)-isothiazolone; 4,5-Dichloro-2-n-octyl-3-isothiazolone; 4,5-Dichloro-2-n-octyl-4-isothiazolin-3-one; 4,5-Dichloro-2-octyl-1,2-thiazol-3(2H)-one; 4,5-Dichloro-2-octyl-2,3-dihydro-1,2-thiazol-3-one; 4,5-Dichloro-2-octyl-2H-isothiazol-3-one; 4,5-Dichloro-2-octyl-3(2H)-isothiazolone; 4,5-Dichloro-2-octylisothiazol-3(2H)-one; 4,5-Dichloro-2-octyl-isothiazol-3-one; 4,5-Dichloro-2-octyl-isothiazolone; 4,5-Dichloro-n-octyl-3(2H)-isothiazolone; Dichlorooctylisothiazolinone; DCOIT |
In Other Databases
| ChemIDPlus | 064359815 |
| ChemSpider | 82791 |
| ChEBI | CHEBI:83518 |
| ChEMBL | CHEMBL110764 |
| PubChem | 91688 |