4-Chloro-2-octyl-4-isothiazolin-3-one

CAS Registry Number®

64359-80-4
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CAS Name

4-Chloro-2-octyl-4-isothiazolin-3-one

Molecular Formula

C11H18ClNOS

Molecular Mass

247.78

Cite this Page

4-Chloro-2-octyl-4-isothiazolin-3-one.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=64359-80-4 (retrieved 2024-09-15) (CAS RN: 64359-80-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    33-35 °C

Source(s)

  • (1) Denotes property values from the ZIC/VINITI data file provided by InfoChem.

Other Names and Identifiers

InChI

InChI=1S/C11H18ClNOS/c1-2-3-4-5-6-7-8-13-11(14)10(12)9-15-13/h9H,2-8H2,1H3

InChIKey

InChIKey=PHXZQPLQBTYCFV-UHFFFAOYSA-N

SMILES

C(CCCCCCC)N1C(=O)C(Cl)=CS1

Canonical SMILES

O=C1C(Cl)=CSN1CCCCCCCC

Other Names for this Substance

  • 3(2H)-Isothiazolone, 4-chloro-2-octyl-
  • 4-Chloro-2-octyl-3(2H)-isothiazolone
  • 4-Chloro-2-octyl-4-isothiazolin-3-one