Ethyl 2-(4-chloro-2-oxo-1,3-benzothiazol-3-yl)acetate

C11H10ClNO3S

ethyl 2-(4-chloro-2-oxo-1,3-benzothiazol-3-yl)acetate

CAS25059-80-7
GHS09 Gefahrensymbol: Umweltgefährlich – Umwelt

Consulting for Ethyl 2-(4-chloro-2-oxo-1,3-benzothiazol-3-yl)acetate

Our experts support you with application, dosage, and compliance.

Request Consultation

Identification

CAS Number
25059-80-7
EC Number
246-591-0
UN Number
3077
Index Number
607-311-00-6
PubChem CID
3034351

Physical-chemical properties

Molecular Formula
C11H10ClNO3S
Molar Mass
271.72 g/mol
IUPAC Name
ethyl 2-(4-chloro-2-oxo-1,3-benzothiazol-3-yl)acetate

Chemical Identifiers

InChI
InChI=1S/C11H10ClNO3S/c1-2-16-9(14)6-13-10-7(12)4-3-5-8(10)17-11(13)15/h3-5H,2,6H2,1H3
InChI Key
WQRCEBAZAUAUQC-UHFFFAOYSA-N

Overview

Ethyl 2-(4-chloro-2-oxo-1,3-benzothiazol-3-yl)acetate (CAS 25059-80-7) is a benzothiazole derivative featuring a chlorinated aromatic ring system with ester functionality. This specialized organic compound belongs to the benzothiazole family, characterized by its fused benzene and thiazole ring structure with a chlorine substituent at the 4-position and an ethyl acetate side chain. With a molecular formula of C11H10ClNO3S and molecular weight of 271.72 g/mol, this substance exhibits unique chemical properties that make it valuable in various industrial applications. The compound is classified under EC number 246-591-0 and carries environmental hazard classification as Aquatic Chronic 2, requiring careful handling to prevent aquatic ecosystem impact. The presence of both electron-withdrawing chlorine and the benzothiazole core structure contributes to its stability and reactivity profile. Safety considerations include its classification under ADR Class 9 miscellaneous dangerous substances, with GHS09 pictogram indicating environmental hazards. Unlike more complex structures such as 4-[9-(4-amino-3-chlorophenyl)fluoren-9-yl]-2-chloroaniline, this compound offers more straightforward synthetic accessibility while maintaining functional versatility. Primary industrial applications include its use as an intermediate in pharmaceutical synthesis, particularly in the development of bioactive compounds, and as a building block in specialty chemical manufacturing. The compound also finds application in research and development of agrochemical formulations, where benzothiazole derivatives are valued for their biological activity profiles. OYSI maintains reliable supply chains for ethyl 2-(4-chloro-2-oxo-1,3-benzothiazol-3-yl)acetate, ensuring consistent availability for European industrial customers requiring this specialized chemical intermediate.

Safety & Classification

Classification:

Aquatic Chronic 2

HHazard Statements (H-Statements)

Describe the nature and severity of the hazard

H411

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

Transport (ADR)

UN Number3077
ADR Class9
Packing GroupIII
Tunnel Code-
Proper Shipping NameEthyl-4-chlor-2-oxo-2H-benzothiazol-3-acetat
Marine PollutantNo

Frequently Asked Questions

What is ethyl 2-(4-chloro-2-oxo-1,3-benzothiazol-3-yl)acetate?

Ethyl 2-(4-chloro-2-oxo-1,3-benzothiazol-3-yl)acetate is an organic chemical compound with the molecular formula C11H10ClNO3S and CAS number 25059-80-7. This benzothiazole derivative has a molecular weight of 271.72 g/mol and contains a chlorinated heterocyclic structure. It belongs to the class of acetate esters and is classified as having chronic aquatic toxicity (Aquatic Chronic 2), requiring careful environmental consideration during use and disposal.

What are the physicochemical properties of ethyl 2-(4-chloro-2-oxo-1,3-benzothiazol-3-yl)acetate?

Ethyl 2-(4-chloro-2-oxo-1,3-benzothiazol-3-yl)acetate is typically a solid compound at room temperature with a molecular weight of 271.72 g/mol. As an organic ester containing aromatic and heterocyclic components, it is likely soluble in organic solvents but has limited water solubility. The presence of the chlorine atom and benzothiazole ring system influences its chemical reactivity and stability. Specific physical properties such as melting point and exact solubility data should be confirmed through technical documentation.

What is ethyl 2-(4-chloro-2-oxo-1,3-benzothiazol-3-yl)acetate used for?

Ethyl 2-(4-chloro-2-oxo-1,3-benzothiazol-3-yl)acetate is primarily used as an intermediate in pharmaceutical and fine chemical synthesis. The benzothiazole moiety is commonly found in bioactive compounds, making this substance valuable for developing pharmaceuticals, agrochemicals, and specialty chemicals. Its acetate ester group provides synthetic versatility for further chemical transformations. Industrial applications may include research and development activities, custom synthesis projects, and as a building block for more complex molecular structures.

How to handle ethyl 2-(4-chloro-2-oxo-1,3-benzothiazol-3-yl)acetate safely?

Ethyl 2-(4-chloro-2-oxo-1,3-benzothiazol-3-yl)acetate should be handled with standard laboratory safety precautions including wearing appropriate personal protective equipment such as safety glasses, chemical-resistant gloves, and laboratory coats. Work in well-ventilated areas or under fume hoods to avoid inhalation exposure. Given its Aquatic Chronic 2 classification, prevent environmental release and contamination of water sources. Follow good industrial hygiene practices, avoid direct skin contact, and ensure proper training for personnel handling this chemical.

How to store ethyl 2-(4-chloro-2-oxo-1,3-benzothiazol-3-yl)acetate correctly?

Ethyl 2-(4-chloro-2-oxo-1,3-benzothiazol-3-yl)acetate should be stored in a cool, dry, well-ventilated area away from heat sources and direct sunlight. Keep containers tightly closed and properly labeled in compliance with CLP regulations. Store separately from incompatible materials such as strong oxidizers, bases, and reducing agents. Ensure storage areas have appropriate spill containment measures due to its aquatic toxicity classification. Regular inspection of containers for integrity and proper secondary containment are recommended to prevent environmental contamination.

What to do in case of contact with ethyl 2-(4-chloro-2-oxo-1,3-benzothiazol-3-yl)acetate?

In case of skin contact with ethyl 2-(4-chloro-2-oxo-1,3-benzothiazol-3-yl)acetate, immediately remove contaminated clothing and wash affected areas thoroughly with soap and water for at least 15 minutes. For eye contact, rinse immediately with clean water for 15 minutes and seek medical attention. If inhaled, move to fresh air and seek medical advice if respiratory irritation occurs. In case of ingestion, do not induce vomiting and seek immediate medical attention. Always consult the safety data sheet for specific emergency procedures.

How to dispose of ethyl 2-(4-chloro-2-oxo-1,3-benzothiazol-3-yl)acetate appropriately?

Ethyl 2-(4-chloro-2-oxo-1,3-benzothiazol-3-yl)acetate must be disposed of as hazardous chemical waste according to local, national, and European waste regulations. Due to its Aquatic Chronic 2 classification, prevent release to water systems and soil. Contact licensed hazardous waste disposal companies for proper treatment and disposal. Incineration at authorized facilities capable of handling chlorinated organic compounds is typically the preferred disposal method. Empty containers should also be treated as hazardous waste and disposed of through appropriate channels.

How to transport ethyl 2-(4-chloro-2-oxo-1,3-benzothiazol-3-yl)acetate?

Ethyl 2-(4-chloro-2-oxo-1,3-benzothiazol-3-yl)acetate is classified as ADR Class 9 (Miscellaneous Dangerous Substances), Packing Group III for transportation. This classification requires appropriate packaging, labeling with GHS09 environmental hazard pictogram, and proper shipping documentation. Transport vehicles must comply with ADR regulations for Class 9 substances. Ensure packages are properly secured, labeled, and accompanied by transport documents including safety data sheets. Use qualified carriers familiar with hazardous material transportation requirements and emergency response procedures.

Is ethyl 2-(4-chloro-2-oxo-1,3-benzothiazol-3-yl)acetate subject to specific regulations?

Ethyl 2-(4-chloro-2-oxo-1,3-benzothiazol-3-yl)acetate is subject to European REACH regulation for chemical registration, evaluation, and authorization. Under CLP regulation, it must be classified and labeled according to its Aquatic Chronic 2 hazard class with appropriate GHS09 pictograms. The substance is not currently listed as a Substance of Very High Concern (SVHC). Users must comply with occupational health and safety regulations, environmental protection laws, and transport regulations (ADR Class 9) when handling, using, or transporting this chemical.

Where to buy ethyl 2-(4-chloro-2-oxo-1,3-benzothiazol-3-yl)acetate in Europe?

Ethyl 2-(4-chloro-2-oxo-1,3-benzothiazol-3-yl)acetate is available through OYSI, a specialized European distributor of chemical products. OYSI provides reliable supply of this benzothiazole derivative to pharmaceutical, research, and industrial customers across Europe. As an established chemical distributor, OYSI ensures proper handling, storage, and transportation compliance with European regulations. Contact OYSI directly for availability, technical specifications, regulatory documentation, and delivery options to meet your specific requirements for this specialty chemical compound.

Data Sources

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