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

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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 chlorinated benzothiazole derivative with notable chemical stability and selective reactivity properties. This specialized organic compound belongs to the benzothiazole family, characterized by its fused benzene-thiazole ring system with a chlorine substituent at position 4 and an ethyl acetate functional group. 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 presence of both electron-withdrawing chlorine and the benzothiazole heterocycle contributes to its distinct reactivity profile and stability characteristics. From a safety perspective, ethyl 2-(4-chloro-2-oxo-1,3-benzothiazol-3-yl)acetate is classified under ADR Class 9 miscellaneous dangerous goods and carries the GHS09 pictogram indicating environmental hazard. It is categorized as Aquatic Chronic 2, requiring careful handling to prevent environmental contamination. The compound's hazard classification necessitates appropriate storage conditions and waste disposal procedures in accordance with European chemical regulations. Industrial applications primarily focus on pharmaceutical intermediates and specialty chemical synthesis, where the compound serves as a building block for more complex molecular structures. It also finds use in research and development activities within the agrochemical sector, where benzothiazole derivatives are valued for their biological activity. Unlike related compounds such as 4-[9-(4-amino-3-chlorophenyl)fluoren-9-yl]-2-chloroaniline, which targets different synthetic pathways, this acetate derivative offers specific advantages in esterification reactions and controlled chemical transformations. OYSI maintains reliable supply chains for ethyl 2-(4-chloro-2-oxo-1,3-benzothiazol-3-yl)acetate, ensuring consistent availability for European chemical manufacturers and research institutions.

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 chlorine, nitrogen, oxygen, and sulfur atoms in its structure. It is classified as having chronic aquatic toxicity and requires appropriate handling precautions in professional applications.

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 a solid organic compound at room temperature with a molecular weight of 271.72 g/mol. The compound contains an ethyl ester group which typically provides some solubility in organic solvents. As a benzothiazole derivative with chlorine substitution, it exhibits stability under normal conditions but requires proper storage to maintain its chemical integrity and prevent environmental release.

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 a chemical intermediate in pharmaceutical synthesis and organic chemistry research. Benzothiazole derivatives are commonly employed in the development of bioactive compounds, including potential pharmaceutical agents and agrochemicals. Its specific structure makes it valuable for synthetic chemists working on complex organic transformations and medicinal chemistry projects requiring specialized building blocks.

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 requires standard laboratory safety precautions during handling. Wear appropriate personal protective equipment including safety glasses, gloves, and lab coats. Work in well-ventilated areas or under fume hoods to prevent inhalation. Avoid direct contact with skin and eyes. Given its aquatic toxicity classification, prevent environmental release and ensure proper containment during use. Follow good laboratory practices and company safety protocols.

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 place away from direct sunlight and heat sources. Keep containers tightly sealed to prevent moisture absorption and contamination. Store in appropriate chemical storage areas with adequate ventilation. Due to its aquatic toxicity classification, ensure secondary containment to prevent environmental release. Keep away from incompatible materials and maintain proper inventory records for regulatory compliance.

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 wash the affected area with soap and plenty of water. For eye contact, rinse thoroughly with water for at least 15 minutes and seek medical attention. If inhaled, move to fresh air immediately. In case of ingestion, do not induce vomiting and seek immediate medical attention. Always consult safety data sheets for complete first aid procedures and contact emergency services if necessary.

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

Ethyl 2-(4-chloro-2-oxo-1,3-benzothiazol-3-yl)acetate must be disposed of through licensed hazardous waste contractors in accordance with local and European regulations. Due to its aquatic toxicity classification, prevent release to water systems or soil. Collect waste in appropriate containers and label properly for waste disposal. Incineration at authorized facilities is typically the preferred disposal method for organic compounds. Never dispose of through regular waste streams or pour down drains.

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 goods), Packing Group III for transportation. This classification requires appropriate packaging, labeling, and documentation according to dangerous goods regulations. Use UN-approved packaging and ensure proper marking and placarding of transport vehicles. Transport documentation must include proper shipping names and hazard information. Only authorized personnel should handle transportation arrangements for this chemical.

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 standard European chemical regulations including REACH and CLP. It is classified under CLP as Aquatic Chronic 2 with GHS09 pictogram, requiring appropriate hazard communication. The compound is not currently listed as an SVHC substance. Users must comply with occupational safety regulations, environmental protection requirements, and proper waste management protocols. Registration and safety data sheet requirements apply for commercial use.

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 technical chemicals and pharmaceutical intermediates. OYSI provides reliable supply chains across Europe with proper regulatory compliance and technical support. As a professional chemical distributor, OYSI ensures appropriate packaging, documentation, and delivery of this specialized compound for research and industrial applications. Contact OYSI directly for availability, specifications, and ordering information.

Data Sources

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