2-[N-ethyl-4-[(6-methoxy-3-methyl-1,3-benzothiazol-3-ium-2-yl)diazenyl]-3-methylanilino]ethanol chloride

C20H25ClN4O2S

CAS136213-74-6
GHS09 Gefahrensymbol: Umweltgefährlich – Umwelt
Warning

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Identification

CAS Number
136213-74-6
EC Number
411-110-7
UN Number
3077
Index Number
611-051-00-9
PubChem CID
57348142

Physical-chemical properties

Molecular Formula
C20H25ClN4O2S
Molar Mass
421.00 g/mol
IUPAC Name
2-[N-ethyl-4-[(6-methoxy-3-methyl-1,3-benzothiazol-3-ium-2-yl)diazenyl]-3-methylanilino]ethanol chloride

Chemical Identifiers

InChI
InChI=1S/C20H25N4O2S.ClH/c1-5-24(10-11-25)15-6-8-17(14(2)12-15)21-22-20-23(3)18-9-7-16(26-4)13-19(18)27-20;/h6-9,12-13,25H,5,10-11H2,1-4H3;1H/q+1;/p-1
InChI Key
KVPWRQNUROFDJG-UHFFFAOYSA-M

Overview

2-[N-ethyl-4-[(6-methoxy-3-methyl-1,3-benzothiazol-3-ium-2-yl)diazenyl]-3-methylanilino]ethanol chloride (CAS 136213-74-6) is a complex organic benzothiazolium compound with diazo functionality and significant aquatic toxicity potential. This sophisticated chemical compound belongs to the benzothiazolium class of organic molecules, characterized by its quaternary ammonium structure and azo linkage. With a molecular formula of C20H25ClN4O2S and molecular weight of 421 g/mol, this substance represents a highly engineered chemical intermediate designed for specialized industrial applications. The compound features a methoxy-substituted benzothiazolium ring system connected via a diazenyl bridge to an N-ethyl aniline derivative, terminated with an ethanol group and balanced by a chloride counter-ion. The primary safety considerations for this compound center on its environmental impact profile. Classified under GHS09 environmental hazard pictogram with Aquatic Acute 1 and Aquatic Chronic 1 classifications, it poses significant risks to aquatic ecosystems both immediately and over extended periods. The compound falls under ADR Class 9 miscellaneous dangerous goods for transportation purposes, requiring appropriate handling protocols and environmental containment measures during storage and use. Industrial applications typically focus on specialized chemical synthesis processes, particularly in the development of advanced dye intermediates and pharmaceutical building blocks. The compound's unique structural features make it valuable in organic electronics research and as a precursor for fluorescent compounds. Unlike simpler molecules such as copper(1+) thiocyanate used in basic chemical processes, this benzothiazolium derivative serves highly specialized synthetic pathways. OYSI maintains reliable supply chains for this technical-grade compound, supporting European chemical manufacturers and research institutions with consistent quality and comprehensive documentation.

Safety & Classification

Warning
Classification:

Aquatic Acute 1; Aquatic Chronic 1

HHazard Statements (H-Statements)

Describe the nature and severity of the hazard

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

Transport (ADR)

UN Number3077
ADR Class9
Packing GroupIII
Tunnel Code-
Proper Shipping Name2-(4-(N-Ethyl-N-(2-hydroxy)ethyl)amino-2-methylphenyl)azo-6-methoxy-3-methylbenzothiazoliumchlorid
Marine PollutantNo

Frequently Asked Questions

What is 2-[N-ethyl-4-[(6-methoxy-3-methyl-1,3-benzothiazol-3-ium-2-yl)diazenyl]-3-methylanilino]ethanol chloride?

2-[N-ethyl-4-[(6-methoxy-3-methyl-1,3-benzothiazol-3-ium-2-yl)diazenyl]-3-methylanilino]ethanol chloride is a complex organic compound with the molecular formula C20H25ClN4O2S and CAS number 136213-74-6. This benzothiazolium-based compound has a molecular weight of 421 g/mol and contains diazenyl, aniline, and ethanol functional groups. It is classified as hazardous to the aquatic environment and requires proper handling and disposal procedures.

What are the physicochemical properties of 2-[N-ethyl-4-[(6-methoxy-3-methyl-1,3-benzothiazol-3-ium-2-yl)diazenyl]-3-methylanilino]ethanol chloride?

This compound is an organic salt with a molecular weight of 421 g/mol and contains multiple aromatic rings and polar functional groups. The presence of the chloride ion and benzothiazolium structure suggests it likely exists as a colored solid at room temperature, potentially with good solubility in polar solvents due to its ionic nature and ethanol group. The diazenyl linkage typically contributes to chromophoric properties.

What is 2-[N-ethyl-4-[(6-methoxy-3-methyl-1,3-benzothiazol-3-ium-2-yl)diazenyl]-3-methylanilino]ethanol chloride used for?

This compound is primarily used as a synthetic dye or colorant in industrial applications due to its benzothiazolium-diazenyl structure, which provides chromophoric properties. It may find applications in textile dyeing, printing inks, or specialty chemical formulations where specific color properties are required. The compound's structure suggests potential use in research and development for advanced materials or as an intermediate in chemical synthesis processes.

How to handle 2-[N-ethyl-4-[(6-methoxy-3-methyl-1,3-benzothiazol-3-ium-2-yl)diazenyl]-3-methylanilino]ethanol chloride safely?

Safe handling requires standard laboratory protective equipment including chemical-resistant gloves, safety goggles, and laboratory coats to prevent skin and eye contact. Work in well-ventilated areas or under fume hoods to avoid inhalation. Given its aquatic toxicity classification, prevent environmental release and ensure proper containment during use. Follow good industrial hygiene practices, avoid eating or drinking in work areas, and wash hands thoroughly after handling.

How to store 2-[N-ethyl-4-[(6-methoxy-3-methyl-1,3-benzothiazol-3-ium-2-yl)diazenyl]-3-methylanilino]ethanol chloride correctly?

Store this compound in tightly sealed containers in a cool, dry, well-ventilated area away from direct sunlight and heat sources. Keep containers properly labeled and segregated from incompatible materials. Due to its aquatic toxicity, ensure storage areas have appropriate spill containment measures and are located away from drains or water sources. Regular inspection of containers for integrity is recommended to prevent accidental release.

What to do in case of contact with 2-[N-ethyl-4-[(6-methoxy-3-methyl-1,3-benzothiazol-3-ium-2-yl)diazenyl]-3-methylanilino]ethanol chloride?

In case of skin contact, immediately remove contaminated clothing and wash the affected area thoroughly with soap and water for at least 15 minutes. For eye contact, rinse immediately with clean water for at least 15 minutes and seek medical attention. If inhaled, move the person to fresh air and seek medical advice if symptoms persist. For ingestion, do not induce vomiting and seek immediate medical attention.

How to dispose of 2-[N-ethyl-4-[(6-methoxy-3-methyl-1,3-benzothiazol-3-ium-2-yl)diazenyl]-3-methylanilino]ethanol chloride properly?

Disposal must comply with local, national, and EU waste regulations due to its Aquatic Acute 1 and Aquatic Chronic 1 classifications. This compound cannot be discharged into sewers or waterways and requires treatment as hazardous waste. Contact licensed waste disposal companies specialized in chemical waste management. Prevent environmental contamination during disposal processes and ensure proper documentation of waste disposal activities according to regulatory requirements.

How to transport 2-[N-ethyl-4-[(6-methoxy-3-methyl-1,3-benzothiazol-3-ium-2-yl)diazenyl]-3-methylanilino]ethanol chloride?

This compound is classified as ADR Class 9 (Miscellaneous dangerous goods), Packing Group III, indicating it requires specific transport procedures. Use appropriate packaging that meets UN specifications for Class 9 materials. Ensure proper labeling with hazard placards and transport documentation. Vehicles must comply with ADR regulations, and drivers should be trained in hazardous materials transport. Avoid transport during extreme weather conditions and ensure emergency response information is available.

Is 2-[N-ethyl-4-[(6-methoxy-3-methyl-1,3-benzothiazol-3-ium-2-yl)diazenyl]-3-methylanilino]ethanol chloride subject to special regulations?

This compound is subject to CLP regulation with classification as Aquatic Acute 1 and Aquatic Chronic 1, requiring appropriate hazard labeling with GHS09 pictogram and 'Warning' signal word. It falls under REACH regulation requirements for registration, evaluation, and authorization. While not currently listed as SVHC, it requires safety data sheets and proper risk assessment documentation. Transport is regulated under ADR as Class 9 dangerous goods.

Where to buy 2-[N-ethyl-4-[(6-methoxy-3-methyl-1,3-benzothiazol-3-ium-2-yl)diazenyl]-3-methylanilino]ethanol chloride in Europe?

OYSI serves as a reliable European distributor for this specialized chemical compound, providing quality products with proper documentation and regulatory compliance. As a professional chemical distributor, OYSI ensures appropriate packaging, labeling, and safety data sheets are provided with each shipment. Contact OYSI directly for availability, technical specifications, and delivery options across European markets, ensuring full compliance with local and EU chemical regulations.

Services for 2-[N-ethyl-4-[(6-methoxy-3-methyl-1,3-benzothiazol-3-ium-2-yl)diazenyl]-3-methylanilino]ethanol chloride

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2-[N-ethyl-4-[(6-methoxy-3-methyl-1,3-benzothiazol-3-ium-2-yl)diazenyl]-3-methylanilino]ethanol chloride is a dangerous good. We support you with labeling, packaging, and transport documentation.

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Data Sources

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