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 benzothiazolium-based azo compound with distinctive chromophoric properties and environmental hazard classification. This specialized organic compound belongs to the family of cationic azo dyes, characterized by its complex molecular structure featuring a benzothiazolium core linked through an azo bridge to an aniline derivative. With a molecular formula of C20H25ClN4O2S and molecular weight of 421 g/mol, this substance exhibits the typical structural features of advanced synthetic colorants used in technical applications. The presence of methoxy, methyl, and ethanol substituents contributes to its solubility characteristics and application versatility. The compound presents significant environmental considerations, classified under Aquatic Acute 1 and Aquatic Chronic 1 hazard categories with GHS09 pictogram designation. Its ADR Class 9 classification requires appropriate handling protocols during transportation and storage. Safety measures must account for its potential impact on aquatic ecosystems, necessitating controlled usage and proper waste management procedures. Primary industrial applications include specialized dyeing processes, particularly in textile and leather industries where high-performance colorants are required. The compound also finds use in research applications for chromogenic systems and as an intermediate in the synthesis of advanced materials. Unlike simpler compounds such as copper(1+) thiocyanate, this benzothiazolium derivative offers superior color stability and specific spectral properties valuable in technical formulations. OYSI maintains technical-grade supplies of this specialized azo compound, supporting European industrial customers with comprehensive documentation and regulatory compliance support for demanding applications requiring consistent quality and reliable sourcing.

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 synthetic organic compound with the molecular formula C20H25ClN4O2S and a molecular weight of 421 g/mol. This benzothiazolium-based chemical features a complex structure containing diazenyl linkage, ethanol functionality, and chloride counterion. The compound is classified under CAS number 136213-74-6 and presents environmental hazards requiring careful 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 a solid organic material with a molecular weight of 421 g/mol and the formula C20H25ClN4O2S. The presence of ionic benzothiazolium structure suggests it likely exhibits good water solubility due to the chloride salt form. The compound contains both hydrophilic (ethanol, ionic) and lipophilic (aromatic rings) regions, indicating amphiphilic character. Specific physical properties such as melting point, density, and exact solubility parameters would require analytical characterization.

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 serves as a specialized chemical intermediate in research and industrial applications. The benzothiazolium-diazenyl structure suggests potential use in dye chemistry, analytical reagents, or pharmaceutical research. The complex molecular architecture with multiple functional groups makes it valuable for synthetic chemistry applications, potentially as a building block for more complex molecules or as a research tool in biochemical studies requiring specific molecular interactions.

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 safety glasses, chemical-resistant gloves, and lab coat. Work in well-ventilated areas or under fume extraction to prevent inhalation. Avoid direct skin and eye contact. The compound's Aquatic Acute 1 classification indicates environmental toxicity, so prevent release to water systems. Use appropriate containment measures and have spill cleanup materials readily available. Follow good laboratory practices and consult the safety data sheet for complete handling procedures.

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 environmental hazard classification (Aquatic Acute 1), ensure storage areas have appropriate containment to prevent environmental release. Maintain storage temperatures below 25°C when possible and protect from moisture. Regular container inspection and inventory management are recommended for optimal product stability.

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 wash thoroughly with soap and water for at least 15 minutes and remove contaminated clothing. For eye contact, flush immediately with clean water for 15 minutes while holding eyelids open. If inhaled, move to fresh air immediately. If ingested, do not induce vomiting and rinse mouth with water. Seek medical attention if irritation persists or if large amounts were involved. Keep safety data sheet available for medical personnel.

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

Disposal must comply with local, national, and EU waste regulations due to the compound's environmental hazard classification (Aquatic Acute 1 and Chronic 1). Contact licensed hazardous waste disposal companies for proper treatment and disposal. Never discharge to sewers, waterways, or soil. Small laboratory quantities may require special collection procedures through institutional waste management programs. Documentation of disposal activities may be required under REACH and waste tracking regulations.

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 moderate transport hazard. Use appropriate UN specification packaging suitable for Class 9 materials. Transport documents must include proper shipping name, UN number, hazard class, and packing group. Vehicles must carry appropriate emergency equipment and drivers require ADR training. Ensure packages are properly labeled with GHS09 pictogram and hazard information during transport.

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

This compound is subject to REACH registration requirements for import/manufacture above 1 tonne annually in the EU. It requires CLP classification and labeling as Aquatic Acute 1 and Aquatic Chronic 1 with Warning signal word and GHS09 pictogram. The compound is not currently listed as an SVHC (Substance of Very High Concern). Users must comply with occupational safety regulations and environmental protection laws regarding aquatic toxicity. Safety data sheets must be provided to downstream users.

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, offering professional supply chain management and regulatory compliance support. As a technical chemicals distributor, OYSI provides proper documentation, safety data sheets, and transport classification information required for industrial and research applications. Contact OYSI directly for availability, specifications, and delivery options throughout Europe, ensuring full compliance with REACH and CLP regulations for your specific requirements.

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.