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  • 5-Chloro-2-methyl-4-isothiazolin-3-one
Name:5-Chloro-2-methyl-4-isothiazolin-3-one
CAS No:26172-55-4

PRODUCT DESCRIPTION

【Name】
5-Chloro-2-methyl-4-isothiazolin-3-one
【CAS Registry number】
26172-55-4
【Synonyms】
Isothiazolinones(Blend of CMIT and MIT)
Kathon CG 5243
Isothiazolinone Anti-mould Antiseptic
Kasong preservative
Isothiazolinones
5-Chloro-2-methyl-4-isothiazolin-3-one (CMI)
5-Chloro-2-Methyl-4-Isothiazoline-3-One
【EINECS(EC#)】
247-500-7
【Molecular Formula】
C4H4ClNOS (Products with the same molecular formula)
【Molecular Weight】
149.59
【Inchi】
InChI=1/C4H4ClNOS/c1-6-4(7)2-3(5)8-6/h2H,1H3
【InChIKey】
DHNRXBZYEKSXIM-UHFFFAOYSA-N
【Canonical SMILES】
CN1C(=O)C=C(S1)Cl
【MOL File】
26172-55-4.mol

Chemical and Physical Properties

【Appearance】
Clear to yellow liquid
【Density】
1.25 (14% aq.)
【Boiling Point】
200.2 °C at 760 mmHg
【Vapour】
0.328mmHg at 25°C
【Refractive Index】
n20/D 1.378
【Flash Point】
74.9 °C
【Stability】
Stable. Incompatible with strong oxidizing agents.
【Computed Properties】
Molecular Weight:149.59866 [g/mol]
Molecular Formula:C4H4ClNOS
XLogP3-AA:0.9
H-Bond Donor:0
H-Bond Acceptor:2
Rotatable Bond Count:0
Exact Mass:148.970212
MonoIsotopic Mass:148.970212
Topological Polar Surface Area:45.6
Heavy Atom Count:8
Formal Charge:0
Complexity:156
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
Feature 3D Acceptor Count:1
Feature 3D Ring Count:1
Effective Rotor Count:0
Conformer Sampling RMSD:0.4
CID Conformer Count:1

Safety and Handling

【Hazard Codes】
C:Corrosive
【Risk Statements】
R20/21/22;R34;R43;R50
【Safety Statements 】
S24;S26;S36/37/39;S60;S61
【HazardClass】
8
【Safety】

Hazard Codes:?CorrosiveC,DangerousN,ToxicT 
Risk Statements: 34-43-50-20/21/22-50/53-23/24/25?
R34:Causes burns.?
R43:May cause sensitization by skin contact.?
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.?
R50/53:Very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment.?
R23/24/25:Toxic by inhalation, in contact with skin and if swallowed. 
Safety Statements: 26-36/37/39-45-60-61-24-28?
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.?
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection.?
S45:In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)?
S60:This material and its container must be disposed of as hazardous waste.?
S61:Avoid release to the environment. Refer to special instructions / safety data sheets.?
S24:Avoid contact with skin.?
S28:After contact with skin, wash immediately with plenty of soap-suds. 
RIDADR: UN 1760 8/PG 2
WGK Germany: 1
RTECS: NX8156850
HazardClass: 8 
PackingGroup: III

【PackingGroup 】
III
【Transport】
200kgs
【Specification】

?5-Chloro-2-methyl-4-isothiazolin-3-one , its cas register number is 26172-55-4. It also can be called?4-Isothiazolin-3-one, 5-chloro-2-methyl- ; Methylchloroisothiazolinone?; 3(2H)-Isothiazolone, 5-chloro-2-methyl- ; 4-Isothiazolin-3-one, 5-chloro-2-methyl- ; 5-Chloro-2-methyl-2H-isothiazol-3-one .It is a?liquid and is a cost-effective antimicrobial. It is a high performance biocide for preserving metal working fluids, hydraulic fluids, polymer emulsions, pigment dispersions.

Use and Manufacturing

【Usage】

Isocil(R) is a cost-effective antimicrobial.

Biomedical Effects and Toxicity

【Pharmacological Action】
- Substances that prevent infectious agents or organisms from spreading or kill infectious agents in order to prevent the spread of infection.
- Substances used on inanimate objects that destroy harmful microorganisms or inhibit their activity. Disinfectants are classed as complete, destroying SPORES as well as vegetative forms of microorganisms, or incomplete, destroying only vegetative forms of the organisms. They are distinguished from ANTISEPTICS, which are local anti-infective agents used on humans and other animals. (From Hawley's Condensed Chemical Dictionary, 11th ed)

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