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CHEBI:83518 - 4,5-dichloro-2-n-octyl-3(2H)-isothiazolone
| Formula | C11H17Cl2NOS |
| Net Charge | 0 |
| Average Mass | 282.236 |
| Monoisotopic Mass | 281.04079 |
| SMILES | CCCCCCCCn1sc(Cl)c(Cl)c1=O |
| InChI | InChI=1S/C11H17Cl2NOS/c1-2-3-4-5-6-7-8-14-11(15)9(12)10(13)16-14/h2-8H2,1H3 |
| InChIKey | PORQOHRXAJJKGK-UHFFFAOYSA-N |
| Roles Classification |
|---|
| Chemical Role: | environmental contaminant Any minor or unwanted substance introduced into the environment that can have undesired effects. |
| Biological Roles: | fungicide A substance used to destroy fungal pests. xenobiotic A xenobiotic (Greek, xenos "foreign"; bios "life") is a compound that is foreign to a living organism. Principal xenobiotics include: drugs, carcinogens and various compounds that have been introduced into the environment by artificial means. |
| Application: | fungicide A substance used to destroy fungal pests. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 4,5-dichloro-2-n-octyl-3(2H)-isothiazolone (CHEBI:83518) has role environmental contaminant (CHEBI:78298) |
| 4,5-dichloro-2-n-octyl-3(2H)-isothiazolone (CHEBI:83518) has role fungicide (CHEBI:24127) |
| 4,5-dichloro-2-n-octyl-3(2H)-isothiazolone (CHEBI:83518) has role xenobiotic (CHEBI:35703) |
| 4,5-dichloro-2-n-octyl-3(2H)-isothiazolone (CHEBI:83518) is a 1,2-thiazoles (CHEBI:48902) |
| 4,5-dichloro-2-n-octyl-3(2H)-isothiazolone (CHEBI:83518) is a organochlorine compound (CHEBI:36683) |
| IUPAC Name |
|---|
| 4,5-dichloro-2-octyl-1,2-thiazol-3(2H)-one |
| Synonyms | Source |
|---|---|
| DCOIT | ChEBI |
| dichlorooctylisothiazolinone | ChEBI |
| Kathon 930 | ChemIDplus |
| Manual Xrefs | Databases |
|---|---|
| US2010256204 | Patent |
| NZ524752 | Patent |
| Registry Numbers | Sources |
|---|---|
| Reaxys:1110842 | Reaxys |
| CAS:64359-81-5 | ChemIDplus |
| Citations |
|---|