3(2H)-Isothiazolone, 4,5-dichloro-2-octyl-


Chemical Name: 3(2H)-Isothiazolone, 4,5-dichloro-2-octyl-
CAS Number: 64359-81-5
Product Number: AG003KHK(AGN-PC-0JLZA3)
Synonyms:
MDL No:
Molecular Formula: C11H17Cl2NOS
Molecular Weight: 282.2298

Identification/Properties


Properties
MP:
40-42°C
BP:
322.6 °C at 760 mmHg
Storage:
2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
282.223g/mol
XLogP3:
5.1
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
7
Exact Mass:
281.041g/mol
Monoisotopic Mass:
281.041g/mol
Topological Polar Surface Area:
45.6A^2
Heavy Atom Count:
16
Formal Charge:
0
Complexity:
281
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H302-H315-H319-H332-H335
Precautionary Statements:
P261-P280-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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