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

C21H28N4O6S2

CAS136213-73-5
GHS08 Gefahrensymbol: Gesundheitsgefahr – Gesundheitsgefahr
GHS07 Gefahrensymbol: Gesundheitsschädlich/Reizend – Ausrufezeichen
GHS09 Gefahrensymbol: Umweltgefährlich – Umwelt
Warning

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Identification

CAS Number
136213-73-5
EC Number
411-100-2
UN Number
3077
Index Number
611-089-00-6
PubChem CID
90469821

Physical-chemical properties

Molecular Formula
C21H28N4O6S2
Molar Mass
496.60 g/mol
IUPAC Name
2-[N-ethyl-4-[(6-methoxy-3-methyl-1,3-benzothiazol-3-ium-2-yl)diazenyl]-3-methylanilino]ethanol;methyl sulfate

Chemical Identifiers

InChI
InChI=1S/C20H25N4O2S.CH4O4S/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;1-5-6(2,3)4/h6-9,12-13,25H,5,10-11H2,1-4H3;1H3,(H,2,3,4)/q+1;/p-1
InChI Key
OSAYMYAZZLURDI-UHFFFAOYSA-M

Overview

2-[N-ethyl-4-[(6-methoxy-3-methyl-1,3-benzothiazol-3-ium-2-yl)diazenyl]-3-methylanilino]ethanol;methyl sulfate (CAS 136213-73-5) is a benzothiazolium-based azo compound with distinctive chromophoric properties and high aquatic toxicity potential. This complex organic compound belongs to the benzothiazolium azo dye family, characterized by its intricate molecular structure featuring a benzothiazole ring system coupled with an azo linkage and an aniline derivative. With a molecular formula of C21H28N4O6S2 and molecular weight of 496.6 g/mol, this substance exhibits significant chemical complexity that influences both its functional properties and safety profile. The compound presents multiple safety considerations requiring careful handling protocols. Classified under STOT RE 2, it poses potential risks for specific target organ toxicity following repeated exposure. Its skin sensitization properties (Skin Sens. 1) necessitate appropriate personal protective equipment during handling. The substance demonstrates high aquatic toxicity, classified as both Aquatic Acute 1 and Aquatic Chronic 1, indicating severe environmental impact potential requiring stringent containment measures. From a regulatory perspective, the compound falls under ADR Class 9 for transportation, requiring specialized shipping protocols. The warning signal word and associated GHS pictograms (GHS08, GHS07, GHS09) reflect its health hazards and environmental concerns. Unlike simpler compounds such as 6-amino-N-methylnaphthalene-2-sulfonamide, this benzothiazolium derivative requires enhanced safety protocols due to its complex structure and multiple hazard classifications. Primary industrial applications include specialized dyeing processes, advanced colorant formulations, and specific chemical synthesis applications where its unique chromophoric properties provide distinct advantages. The compound may also serve in research applications requiring specific azo-benzothiazolium functionality. OYSI maintains reliable supply chains for this specialized chemical compound, ensuring consistent availability for qualified industrial customers requiring technical-grade materials.

Safety & Classification

Warning
Classification:

STOT RE 2 *; Skin Sens. 1; Aquatic Acute 1; Aquatic Chronic 1

HHazard Statements (H-Statements)

Describe the nature and severity of the hazard

H373

May cause damage to organs through prolonged or repeated exposure.

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

Skin Contact

Irritant

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:

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 Number3077
ADR Class9
Packing GroupIII
Tunnel Code-
Proper Shipping Name2-((4-(Ethyl-(2-hydroxyethyl)amino)-2-methylphenyl)azo)-6-methoxy-3-methylbenzothiazolium-methylsulfat
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;methyl sulfate?

2-[N-ethyl-4-[(6-methoxy-3-methyl-1,3-benzothiazol-3-ium-2-yl)diazenyl]-3-methylanilino]ethanol;methyl sulfate is a complex organic compound with molecular formula C21H28N4O6S2 and CAS number 136213-73-5. This benzothiazolium-based compound has a molecular weight of 496.6 g/mol and contains diazenyl and ethanol functional groups. It is classified as a hazardous substance requiring careful handling due to its potential health and environmental risks.

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;methyl sulfate?

This compound is a solid organic substance with a molecular weight of 496.6 g/mol and formula C21H28N4O6S2. As a benzothiazolium derivative containing methyl sulfate, it likely exhibits moderate to good solubility in polar solvents. The presence of both hydrophilic (ethanol, sulfate) and hydrophobic (benzothiazole) moieties suggests amphiphilic properties. Specific physical characteristics such as melting point, color, and exact solubility data would require detailed technical specifications.

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

This compound is typically used as a specialized chemical intermediate or dye component in industrial applications. Given its benzothiazolium structure with diazenyl linkage, it likely serves in the manufacture of colorants, dyes, or pigments for textiles, plastics, or other materials. Its complex molecular structure makes it suitable for research and development purposes in pharmaceutical, agrochemical, or specialty chemical industries where specific molecular properties are required.

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

This substance requires careful handling due to its STOT RE 2 and Skin Sens. 1 classifications. Essential safety measures include wearing appropriate personal protective equipment: chemical-resistant gloves, safety goggles, and protective clothing. Ensure adequate ventilation to prevent inhalation exposure. Avoid direct skin contact and use proper handling techniques to minimize dust generation. Work in well-ventilated areas or use local exhaust ventilation. Regular health monitoring may be required for repeated exposure scenarios.

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

This compound should be stored in a cool, dry, well-ventilated area away from incompatible materials. Keep containers tightly closed and properly labeled according to GHS requirements. Storage areas must be equipped with appropriate spill containment measures due to its Aquatic Acute 1 classification. Avoid exposure to heat, ignition sources, and moisture. Implement proper inventory management and ensure storage personnel are trained in handling procedures and emergency response protocols.

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;methyl sulfate?

Immediate action is required due to the skin sensitization potential. For skin contact, remove contaminated clothing and rinse affected areas with plenty of water for at least 15 minutes. For eye contact, flush immediately with water and seek medical attention. If inhaled, move to fresh air and monitor breathing. If ingested, do not induce vomiting and seek immediate medical attention. Always consult the safety data sheet and contact poison control or medical professionals for specific guidance.

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

This substance must be disposed of as hazardous waste due to its environmental hazard classifications (Aquatic Acute 1, Aquatic Chronic 1). Disposal must comply with local, national, and EU waste regulations including the Waste Framework Directive. Use only licensed hazardous waste disposal contractors and ensure proper waste classification codes are applied. Never discharge to sewers, waterways, or soil. Contaminated packaging should also be treated as hazardous waste unless thoroughly cleaned.

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

This substance is classified as ADR Class 9 (Miscellaneous dangerous goods), Packing Group III for transport purposes. Transportation requires appropriate UN packaging, proper marking, labeling, and documentation according to ADR regulations. Vehicles must carry appropriate emergency equipment and drivers need ADR training. Shipping documents must include proper shipping names, hazard classifications, and emergency response information. Special handling procedures apply to prevent environmental release during transport.

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

This substance is subject to multiple EU regulations including REACH registration requirements, CLP classification and labeling obligations, and potentially PIC regulation for import/export. While not currently identified as SVHC, it requires hazard communication through safety data sheets and appropriate labeling with GHS pictograms (GHS07, GHS08, GHS09). Companies must comply with downstream user obligations, exposure scenario implementation, and worker protection requirements under OSH legislation.

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

OYSI serves as a reliable European distributor for this specialized chemical compound, offering comprehensive supply chain solutions across the EU market. As an established chemical distributor, OYSI provides technical support, regulatory compliance documentation, and quality assurance for industrial customers. Contact OYSI directly for availability, technical specifications, safety data sheets, and logistics arrangements. Their European network ensures efficient delivery while maintaining proper handling and documentation requirements throughout the supply chain.

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

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