4,5-Dichloro-2-Octyl-Isothiazolone

• CAS: 64359-81-5
• Catalog Number: ACM64359815
• Category: Main Products
• Molecular Weight: 282.23
• Molecular Formula: C₁₁H₁₇Cl₂NOS
• Synonyms: 4,5-Dichloro-2-n-octyl-4-isothiazolin-3-one; 4,5-dichloro-2-octyl-1,2-thiazol-3-one
• IUPAC Name: 4,5-dichloro-2-n-octyl-3(2H)-isothiazolone
• Boiling Point: 322.6ºC at 760 mmHg
• Melting Point: 36-40ºC
• Flash Point: 148.9ºC
• Density: 1.25 g/cm³
• Appearance: white powder
• Exact Mass: 281.04100

Custom Q&A

What is the molecular formula of 4,5-Dichloro-2-Octyl-Isothiazolone?

Answer: The molecular formula is C11H17Cl2NOS.

What are some synonyms of 4,5-Dichloro-2-Octyl-Isothiazolone?

Answer: Some synonyms include 4,5-Dichloro-2-octylisothiazol-3(2H)-one, Kathon 930, dcoit, and Sea-Nine 211.

Is 4,5-Dichloro-2-Octyl-Isothiazolone corrosive?

Answer: Yes, it is corrosive.

What is the CAS number of 4,5-Dichloro-2-Octyl-Isothiazolone?

Answer: The CAS number is 64359-81-5.

What is the IUPAC name of 4,5-Dichloro-2-Octyl-Isothiazolone?

Answer: The IUPAC name is 4,5-dichloro-2-octyl-1,2-thiazol-3-one.

What is the InChIKey of 4,5-Dichloro-2-Octyl-Isothiazolone?

Answer: The InChIKey is PORQOHRXAJJKGK-UHFFFAOYSA-N.

What is the Canonical SMILES of 4,5-Dichloro-2-Octyl-Isothiazolone?

Answer: The Canonical SMILES is CCCCCCCCN1C(=O)C(=C(S1)Cl)Cl.

Is 4,5-Dichloro-2-Octyl-Isothiazolone an organochlorine compound?

Answer: Yes, it is an organochlorine compound.

What is the EC number of 4,5-Dichloro-2-Octyl-Isothiazolone?

Answer: The EC number is 264-843-8.

What is the role of 4,5-Dichloro-2-Octyl-Isothiazolone?

Answer: It has a role as an environmental contaminant, a xenobiotic, and a fungicide.

Synthetic Use

Upstream Synthesis Route 1

• 10124-68-2

• 64359-81-5

Reference: [1] Patent: US4861896, 1989, A,

Upstream Synthesis Route 2

• 33312-01-5

• 64359-81-5
• 26530-20-1

Reference: [1] Patent: US2008/227986, 2008, A1, . Location in patent: Page/Page column 3

Upstream Synthesis Route 3

• 26530-20-1

• 64359-81-5

Reference: [1] Journal of Heterocyclic Chemistry, 1977, vol. 14, p. 627 - 630

Upstream Synthesis Route 4

• 26530-20-1

• 64359-81-5

Reference: [1]Journal of Heterocyclic Chemistry,1977,vol. 14,p. 627 - 630
[2]Patent: CN104072440,2019,B .Location in patent: Paragraph 0013; 0027-0032