4,5-dichloro-2-octyl-1,2-thiazol-3-one

C11H17Cl2NOS

CAS64359-81-5
GHS06 Gefahrensymbol: Giftig – Totenkopf mit Knochen
GHS05 Gefahrensymbol: Ätzend – Ätzwirkung
GHS09 Gefahrensymbol: Umweltgefährlich – Umwelt
Danger

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Identification

CAS Number
64359-81-5
EC Number
264-843-8
UN Number
2928
Index Number
613-335-00-8
PubChem CID
91688

Physical-chemical properties

Molecular Formula
C11H17Cl2NOS
Molar Mass
282.20 g/mol
IUPAC Name
4,5-dichloro-2-octyl-1,2-thiazol-3-one

Chemical Identifiers

InChI
InChI=1S/C11H17Cl2NOS/c1-2-3-4-5-6-7-8-14-11(15)9(12)10(13)16-14/h2-8H2,1H3
InChI Key
PORQOHRXAJJKGK-UHFFFAOYSA-N

Overview

4,5-dichloro-2-octyl-1,2-thiazol-3-one (CAS 64359-81-5) is an organosulfur biocide with potent antimicrobial properties and high aquatic toxicity. This specialized chemical compound, also known by its EC number 264-843-8, belongs to the isothiazolinone family of biocides widely used in industrial applications. With a molecular formula of C11H17Cl2NOS and molecular weight of 282.2 g/mol, this dichlorinated thiazolone derivative exhibits exceptional antimicrobial efficacy against bacteria, fungi, and algae. The octyl chain attached to the thiazole ring enhances its lipophilicity and membrane penetration capabilities, making it particularly effective in challenging environments. The compound presents significant safety considerations, classified under multiple hazard categories including acute toxicity (Acute Tox. 2 and 4), skin corrosion (Skin Corr. 1), eye damage (Eye Dam. 1), and strong skin sensitization (Skin Sens. 1A). Its ADR classification as Class 6.1 reflects its toxic nature, requiring careful handling protocols and appropriate personal protective equipment. The GHS pictograms GHS06, GHS05, and GHS09 indicate skull and crossbones, corrosion, and environmental hazards respectively, emphasizing the need for specialized storage and transportation procedures. Industrial applications primarily focus on water treatment systems, metalworking fluids, and paint preservation where broad-spectrum antimicrobial activity is essential. Unlike simpler biocides such as 2,2-dibromo-2-cyanoacetamide, this compound offers superior persistence and effectiveness in oil-based formulations due to its lipophilic octyl group. OYSI maintains reliable supply chains for 4,5-dichloro-2-octyl-1,2-thiazol-3-one, supporting European industrial customers with technical-grade material and comprehensive safety documentation for regulatory compliance.

Safety & Classification

Danger
Classification:

Acute Tox. 2; Acute Tox. 4; Skin Corr. 1; Eye Dam. 1; Skin Sens. 1A; Aquatic Acute 1; Aquatic Chr...

HHazard Statements (H-Statements)

Describe the nature and severity of the hazard

H330

Fatal if inhaled.

H302

Harmful if swallowed.

H314

Causes severe skin burns and eye damage.

H318

Causes serious eye damage.

H317

May cause an allergic skin reaction.

H400

Very toxic to aquatic life.

H410

Very toxic to aquatic life with long lasting effects.

Classification according to CLP Regulation (EC) No 1272/2008. The complete list of hazard and precautionary statements can be found in the Safety Data Sheet (SDS).

First Aid Measures

Inhalation

Fatal

Measures if vapours or dust are inhaled

First Aid Actions

  • +P304IF INHALED:
  • +P340Remove person to fresh air and keep comfortable for breathing.
  • +P311Call a POISON CENTER/doctor.

Related hazard statements:

Skin Contact

Harmful

Measures if substance contacts the skin

First Aid Actions

  • +P302IF ON SKIN:
  • +P352Wash with plenty of water.
  • +P361Take off immediately all contaminated clothing.
  • +P313Get medical advice/attention.

Related hazard statements:

Eye Contact

Harmful

Measures if substance gets into the eyes

First Aid Actions

  • +P305IF IN EYES:
  • +P351Rinse cautiously with water for several minutes.
  • +P338Remove contact lenses, if present and easy to do. Continue rinsing.
  • +P313Get medical advice/attention.

Related hazard statements:

Ingestion

Harmful

Measures if substance is accidentally swallowed

First Aid Actions

  • +P301IF SWALLOWED:
  • +P330Rinse mouth.
  • +P331Do NOT induce vomiting.
  • +P310Immediately call a POISON CENTER/doctor.

Related hazard statements:

General Measures

Emergency 112 | Poison Control: +49 30 19240 (DE), +33 1 45 42 59 59 (FR), +31 30 274 88 88 (NL)

First aid measures are based on CLP classification and associated P-statements. They do not replace the Safety Data Sheet (SDS). In case of emergency, always consult the full SDS and a physician.

Transport (ADR)

UN Number2928
ADR Class6.1
Packing GroupII
Tunnel CodeD/E
Proper Shipping Name4,5-Dichlor-2-octyl-2H-isothiazol-3-on, fest
Marine PollutantNo

Frequently Asked Questions

What is 4,5-dichloro-2-octyl-1,2-thiazol-3-one?

4,5-dichloro-2-octyl-1,2-thiazol-3-one is an organosulfur compound with the molecular formula C11H17Cl2NOS and CAS number 64359-81-5. This thiazolone derivative has a molecular weight of 282.2 g/mol and contains two chlorine atoms attached to the thiazole ring along with an octyl side chain. It is classified as a highly hazardous substance requiring careful handling due to its acute toxicity and corrosive properties.

What are the physicochemical properties of 4,5-dichloro-2-octyl-1,2-thiazol-3-one?

4,5-dichloro-2-octyl-1,2-thiazol-3-one is a chemical compound with a molecular mass of 282.2 g/mol and formula C11H17Cl2NOS. The substance contains a thiazolone ring system substituted with chlorine atoms and an octyl chain, which influences its solubility and physical characteristics. Due to its organic structure with both polar and nonpolar components, specific physical properties should be consulted from technical datasheets for precise handling requirements.

What is 4,5-dichloro-2-octyl-1,2-thiazol-3-one used for?

4,5-dichloro-2-octyl-1,2-thiazol-3-one is primarily used as a biocide and preservative in industrial applications. This thiazolone derivative serves as an antimicrobial agent in various formulations, particularly in water treatment systems, paints, coatings, and other industrial products where microbial control is essential. Its effectiveness against bacteria and fungi makes it valuable in preservation applications, though its use requires strict safety protocols due to its hazardous classification.

How to handle 4,5-dichloro-2-octyl-1,2-thiazol-3-one safely?

4,5-dichloro-2-octyl-1,2-thiazol-3-one requires maximum protection during handling due to its Acute Tox. 2 and Skin Corr. 1 classifications. Personnel must wear chemical-resistant gloves, protective clothing, eye protection, and respiratory protection when handling this substance. Work should be conducted in well-ventilated areas or under fume extraction. Avoid skin contact, inhalation, and ingestion. Emergency shower and eyewash facilities must be readily accessible, and only trained personnel should handle this material.

How to store 4,5-dichloro-2-octyl-1,2-thiazol-3-one correctly?

4,5-dichloro-2-octyl-1,2-thiazol-3-one must be stored in a secure, well-ventilated area away from incompatible materials. The storage area should be cool, dry, and protected from direct sunlight and heat sources. Containers must be tightly sealed and properly labeled with appropriate hazard warnings. Due to its corrosive and toxic nature, storage should comply with local regulations for hazardous chemicals, with appropriate containment measures and restricted access to authorized personnel only.

What to do in case of contact with 4,5-dichloro-2-octyl-1,2-thiazol-3-one?

Immediate action is required upon contact with 4,5-dichloro-2-octyl-1,2-thiazol-3-one due to its corrosive and toxic properties. For skin contact, immediately remove contaminated clothing and flush with copious amounts of water for at least 15 minutes. For eye contact, rinse immediately with water for at least 15 minutes. If inhaled, move to fresh air immediately. If ingested, do not induce vomiting. Seek immediate medical attention in all cases and provide the safety data sheet to medical personnel.

How to dispose of 4,5-dichloro-2-octyl-1,2-thiazol-3-one appropriately?

4,5-dichloro-2-octyl-1,2-thiazol-3-one must be disposed of as hazardous waste according to local and national regulations. The substance cannot be disposed of in normal waste streams due to its toxic and corrosive properties. Contact licensed hazardous waste disposal companies for proper collection and treatment. Containers must be properly labeled and documented for waste tracking. Incineration at authorized facilities may be required, and disposal must comply with environmental protection regulations to prevent contamination.

How to transport 4,5-dichloro-2-octyl-1,2-thiazol-3-one?

4,5-dichloro-2-octyl-1,2-thiazol-3-one is classified as ADR Class 6.1 (Toxic substances), Packing Group II, requiring specialized transport procedures. The substance must be packaged in UN-approved containers with appropriate hazard labels and documentation. Transport vehicles must comply with ADR regulations for toxic substances, including proper placarding and emergency equipment. Only trained personnel should handle transportation, and emergency response information must accompany shipments. Carriers must be authorized for dangerous goods transport.

Is 4,5-dichloro-2-octyl-1,2-thiazol-3-one subject to specific regulations?

4,5-dichloro-2-octyl-1,2-thiazol-3-one is subject to multiple regulatory frameworks including REACH registration requirements and CLP classification as a dangerous substance. The compound is classified with multiple hazard categories including acute toxicity and environmental hazards, requiring compliance with safety data sheet provisions and supply chain communication. While not currently listed as SVHC, its biocidal properties may subject it to additional biocide regulations. Users must ensure compliance with local chemical safety and environmental regulations.

Where to buy 4,5-dichloro-2-octyl-1,2-thiazol-3-one in Europe?

4,5-dichloro-2-octyl-1,2-thiazol-3-one is available through OYSI, a specialized European distributor of technical chemicals. OYSI provides this substance to qualified industrial users with proper documentation and safety data sheets. Due to its hazardous classification, purchase requires verification of end-use applications and compliance with regulatory requirements. Contact OYSI directly for availability, technical specifications, and regulatory documentation to ensure proper procurement and handling of this controlled substance.

Data Sources

Classification per CLP Regulation (EC) No 1272/2008. Data from ECHA and PubChem.