64359-81-5,MFCD04034673
Catalog No.:AA003KES

64359-81-5 | 4,5-Dichloro-2-octyl-isothiazolone

Pack Size
Purity
Availability
Price(USD)
Quantity
  
25g
95%
in stock  
$18.00   $13.00
- +
100g
95%
in stock  
$25.00   $18.00
- +
  • Technical Information
  • Properties
  • Upstream Synthesis Route
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA003KES
Chemical Name:
4,5-Dichloro-2-octyl-isothiazolone
CAS Number:
64359-81-5
Molecular Formula:
C11H17Cl2NOS
Molecular Weight:
282.2298
MDL Number:
MFCD04034673
SMILES:
CCCCCCCCn1sc(c(c1=O)Cl)Cl
Properties
Properties
 
BP:
322.6 °C at 760 mmHg  
Form:
Solid  
MP:
40-42°C  
Storage:
2-8℃;  

Computed Properties
 
Complexity:
281  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0  
Isotope Atom Count:
0  
Rotatable Bond Count:
7  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
5.1  

Upstream Synthesis Route

[1]Patent:US4861896,1989,A,

[1]Patent:US2008/227986,2008,A1,.Locationinpatent:Page/Pagecolumn3

[1]JournalofHeterocyclicChemistry,1977,vol.14,p.627-630

Downstream Synthesis Route

[1]JournalofHeterocyclicChemistry,1977,vol.14,p.627-630

[2]Patent:CN104072440,2019,B.Locationinpatent:Paragraph0013;0027-0032

64359-81-5    3811-73-2   
4-chloro-2-(n-octyl)-3-isothiazolon-5-yl-(1-oxypyridin-2-yl)sulfide 

[1]Patent:EP1223171,2002,A1.Locationinpatent:Example2

64359-81-5    3811-73-2   
4-chloro-2-(n-octyl)-3-isothiazolon-5-yl-(1-oxypyridin-2-yl)sulfide 

[1]Patent:US2003/65192,2003,A1

sulphurdichloride 
  10124-68-2    64359-81-5 

[1]Patent:US4861896,1989,A

Literature

Title: In vitro bioassay for reactive toxicity towards proteins implemented for water quality monitoring.

Journal: Journal of environmental monitoring : JEM 20120301

Title: Acute toxicity of organic chemicals to Gammarus pulex correlates with sensitivity of Daphnia magna across most modes of action.

Journal: Aquatic toxicology (Amsterdam, Netherlands) 20110501

Title: Toxicity evaluation of single and mixed antifouling biocides using the Strongylocentrotus intermedius sea urchin embryo test.

Journal: Environmental toxicology and chemistry 20110301

Title: Influence of P-glycoprotein on embryotoxicity of the antifouling biocides to sea urchin (Strongylocentrotus intermedius).

Journal: Ecotoxicology (London, England) 20110301

Title: Analyzing cytotoxic effects of selected isothiazol-3-one biocides using the toxic ratio concept and structure-activity relationship considerations.

Journal: Chemical research in toxicology 20091201

Title: QSAR analysis and specific endpoints for classifying the physiological modes of action of biocides in synchronous green algae.

Journal: Aquatic toxicology (Amsterdam, Netherlands) 20081020

Title: Prediction and assessment of mixture toxicity of compounds in antifouling paints using the sea-urchin embryo-larval bioassay.

Journal: Aquatic toxicology (Amsterdam, Netherlands) 20080730

Title: Structure-activity relationships for the impact of selected isothiazol-3-one biocides on glutathione metabolism and glutathione reductase of the human liver cell line Hep G2.

Journal: Toxicology 20080418

Title: Toxic effects of new antifouling compounds on tunicate haemocytes I. Sea-nine 211 and chlorothalonil.

Journal: Aquatic toxicology (Amsterdam, Netherlands) 20080131

Title: Analysis of isothiazolinones in environmental waters by gas chromatography-mass spectrometry.

Journal: Journal of chromatography. A 20070914

Title: Combinatorial materials research applied to the development of new surface coatings III. Utilisation of a high-throughput multiwell plate screening method to rapidly assess bacterial biofilm retention on antifouling surfaces.

Journal: Biofouling 20070101

Title: Evaluating the interactions of vertebrate receptors with persistent pollutants and antifouling pesticides using recombinant yeast assays.

Journal: Analytical and bioanalytical chemistry 20060701

Title: Monitoring of antifouling booster biocides in water and sediment from the port of Osaka, Japan.

Journal: Archives of environmental contamination and toxicology 20050401

Title: Monitoring and evaluation of the environmental dissipation of the marine antifoulant 4,5-dichloro-2-n-octyl-4-isothiazolin-3-one (DCOIT) in a Danish Harbor.

Journal: Chemosphere 20041101

Title: Application of solvent microextraction in a single drop for the determination of new antifouling agents in waters.

Journal: Journal of chromatography. A 20040917

Title: Long-term effect of Sea-Nine on natural coastal phytoplankton communities assessed by pollution induced community tolerance.

Journal: Aquatic toxicology (Amsterdam, Netherlands) 20030110

Title: Analysis of antifouling biocides Irgarol 1051 and Sea Nine 211 in environmental water samples using solid-phase microextraction and gas chromatography.

Journal: Journal of chromatography. A 20020405

Title: Persistence of antifouling agents in the marine biosphere.

Journal: Environmental science & technology 20020401

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Tags:64359-81-5 Molecular Formula|64359-81-5 MDL|64359-81-5 SMILES|64359-81-5 4,5-Dichloro-2-octyl-isothiazolone
Catalog No.: AA003KES
64359-81-5,MFCD04034673
64359-81-5 | 4,5-Dichloro-2-octyl-isothiazolone
Pack Size: 25g
Purity: 95%
in stock
$18.00 $13.00
Pack Size: 100g
Purity: 95%
in stock
$25.00 $18.00
Quantity
- +
Add to Card
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bulk Quotation Request
Technical Information
Catalog Number: AA003KES
Chemical Name: 4,5-Dichloro-2-octyl-isothiazolone
CAS Number: 64359-81-5
Molecular Formula: C11H17Cl2NOS
Molecular Weight: 282.2298
MDL Number: MFCD04034673
SMILES: CCCCCCCCn1sc(c(c1=O)Cl)Cl
Properties
BP: 322.6 °C at 760 mmHg  
Form: Solid  
MP: 40-42°C  
Storage: 2-8℃;  
Complexity: 281  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 16  
Hydrogen Bond Acceptor Count: 2  
Hydrogen Bond Donor Count: 0  
Isotope Atom Count: 0  
Rotatable Bond Count: 7  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 5.1  
Upstream Synthesis Route
10124-68-2    64359-81-5 

[1]Patent:US4861896,1989,A,

33312-01-5    64359-81-5    26530-20-1 

[1]Patent:US2008/227986,2008,A1,.Locationinpatent:Page/Pagecolumn3

26530-20-1    64359-81-5 

[1]JournalofHeterocyclicChemistry,1977,vol.14,p.627-630

Downstream Synthesis Route
26530-20-1    64359-81-5 

[1]JournalofHeterocyclicChemistry,1977,vol.14,p.627-630

[2]Patent:CN104072440,2019,B.Locationinpatent:Paragraph0013;0027-0032

64359-81-5    3811-73-2   
4-chloro-2-(n-octyl)-3-isothiazolon-5-yl-(1-oxypyridin-2-yl)sulfide 

[1]Patent:EP1223171,2002,A1.Locationinpatent:Example2

64359-81-5    3811-73-2   
4-chloro-2-(n-octyl)-3-isothiazolon-5-yl-(1-oxypyridin-2-yl)sulfide 

[1]Patent:US2003/65192,2003,A1

sulphurdichloride 
  10124-68-2    64359-81-5 

[1]Patent:US4861896,1989,A

Literature fold

Title: In vitro bioassay for reactive toxicity towards proteins implemented for water quality monitoring.

Journal: Journal of environmental monitoring : JEM20120301

Title: Acute toxicity of organic chemicals to Gammarus pulex correlates with sensitivity of Daphnia magna across most modes of action.

Journal: Aquatic toxicology (Amsterdam, Netherlands)20110501

Title: Toxicity evaluation of single and mixed antifouling biocides using the Strongylocentrotus intermedius sea urchin embryo test.

Journal: Environmental toxicology and chemistry20110301

Title: Influence of P-glycoprotein on embryotoxicity of the antifouling biocides to sea urchin (Strongylocentrotus intermedius).

Journal: Ecotoxicology (London, England)20110301

Title: Analyzing cytotoxic effects of selected isothiazol-3-one biocides using the toxic ratio concept and structure-activity relationship considerations.

Journal: Chemical research in toxicology20091201

Title: QSAR analysis and specific endpoints for classifying the physiological modes of action of biocides in synchronous green algae.

Journal: Aquatic toxicology (Amsterdam, Netherlands)20081020

Title: Prediction and assessment of mixture toxicity of compounds in antifouling paints using the sea-urchin embryo-larval bioassay.

Journal: Aquatic toxicology (Amsterdam, Netherlands)20080730

Title: Structure-activity relationships for the impact of selected isothiazol-3-one biocides on glutathione metabolism and glutathione reductase of the human liver cell line Hep G2.

Journal: Toxicology20080418

Title: Toxic effects of new antifouling compounds on tunicate haemocytes I. Sea-nine 211 and chlorothalonil.

Journal: Aquatic toxicology (Amsterdam, Netherlands)20080131

Title: Analysis of isothiazolinones in environmental waters by gas chromatography-mass spectrometry.

Journal: Journal of chromatography. A20070914

Title: Combinatorial materials research applied to the development of new surface coatings III. Utilisation of a high-throughput multiwell plate screening method to rapidly assess bacterial biofilm retention on antifouling surfaces.

Journal: Biofouling20070101

Title: Evaluating the interactions of vertebrate receptors with persistent pollutants and antifouling pesticides using recombinant yeast assays.

Journal: Analytical and bioanalytical chemistry20060701

Title: Monitoring of antifouling booster biocides in water and sediment from the port of Osaka, Japan.

Journal: Archives of environmental contamination and toxicology20050401

Title: Monitoring and evaluation of the environmental dissipation of the marine antifoulant 4,5-dichloro-2-n-octyl-4-isothiazolin-3-one (DCOIT) in a Danish Harbor.

Journal: Chemosphere20041101

Title: Application of solvent microextraction in a single drop for the determination of new antifouling agents in waters.

Journal: Journal of chromatography. A20040917

Title: Long-term effect of Sea-Nine on natural coastal phytoplankton communities assessed by pollution induced community tolerance.

Journal: Aquatic toxicology (Amsterdam, Netherlands)20030110

Title: Analysis of antifouling biocides Irgarol 1051 and Sea Nine 211 in environmental water samples using solid-phase microextraction and gas chromatography.

Journal: Journal of chromatography. A20020405

Title: Persistence of antifouling agents in the marine biosphere.

Journal: Environmental science & technology20020401

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