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

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

CAS No:
64359-80-4
Formula:
C11H18ClNOS
Chemical Name:
4-Chloro-2-octyl-4-isothiazolin-3-one
Synonyms:
3(2H)-Isothiazolone,4-chloro-2-octyl-;4-Chloro-2-octyl-3(2H)-isothiazolone;4-Chloro-2-octyl-4-isothiazolin-3-one

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

Molecular Weight：

247.78472

Exact Mass：

247.78

EC Number：

264-842-2

UNII：

18T1O365TY

DSSTox ID：

DTXSID6041509

Characteristics

PSA：

45.6

XLogP3：

3.92370

Density：

1.15g/cm3

Melting Point：

33-35 °C @ Solvent: Hexane

Boiling Point：

318.9ºC at 760 mmHg

Flash Point：

146.6ºC

Refractive Index：

1.542

4-Chloro-2-octyl-4-isothiazolin-3-one Use and Manufacturing

Manufacturing Info：

3(2H)-Isothiazolone, 4-chloro-2-octyl-: ACTIVE

Computed Properties

Molecular Weight:247.79
XLogP3:4.3
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:7
Exact Mass:247.0797631
Monoisotopic Mass:247.0797631
Topological Polar Surface Area:45.6
Heavy Atom Count:15
Complexity:243
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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

Basic Attributes
Characteristics
Use and Manufacturing
Computed Properties

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

SDS

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