3-[[bis(2-ethylhexyl)amino]methyl]-1,3-benzothiazole-2-thione

C24H40N2S2

CAS105254-85-1
GHS05 Gefahrensymbol: Ätzend – Ätzwirkung
GHS07 Gefahrensymbol: Gesundheitsschädlich/Reizend – Ausrufezeichen
GHS09 Gefahrensymbol: Umweltgefährlich – Umwelt
Danger

Consulting for 3-[[bis(2-ethylhexyl)amino]methyl]-1,3-benzothiazole-2-thione

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

Request Consultation

Identification

CAS Number
105254-85-1
EC Number
402-540-6
UN Number
3263
Index Number
613-080-00-2
PubChem CID
176005

Physical-chemical properties

Molecular Formula
C24H40N2S2
Molar Mass
420.70 g/mol
IUPAC Name
3-[[bis(2-ethylhexyl)amino]methyl]-1,3-benzothiazole-2-thione

Chemical Identifiers

InChI
InChI=1S/C24H40N2S2/c1-5-9-13-20(7-3)17-25(18-21(8-4)14-10-6-2)19-26-22-15-11-12-16-23(22)28-24(26)27/h11-12,15-16,20-21H,5-10,13-14,17-19H2,1-4H3
InChI Key
RDGUHQJBFKFPRI-UHFFFAOYSA-N

Overview

3-[[bis(2-ethylhexyl)amino]methyl]-1,3-benzothiazole-2-thione (CAS 105254-85-1) is an organosulfur benzothiazole derivative with corrosive properties and environmental toxicity concerns. This specialized chemical compound belongs to the benzothiazole family, characterized by its fused benzene and thiazole ring structure with a pendant thione group. The molecule features a complex substitution pattern including a bis(2-ethylhexyl)amino methylated side chain, which significantly influences its solubility and interaction properties. With a molecular formula of C24H40N2S2 and molecular weight of 420.7 g/mol, this compound exhibits distinctive physicochemical characteristics that make it valuable for specific industrial applications. The substance presents significant safety considerations, classified as a skin corrosive (Category 1B) and skin sensitizer (Category 1), requiring careful handling protocols and appropriate personal protective equipment. Its environmental profile shows acute and chronic aquatic toxicity, necessitating proper containment and disposal procedures. The compound is transported under ADR Class 8 regulations due to its corrosive nature. In industrial applications, 3-[[bis(2-ethylhexyl)amino]methyl]-1,3-benzothiazole-2-thione serves primarily as a specialized additive in polymer processing and as an intermediate in organic synthesis. Its unique structural properties make it particularly suitable for applications requiring specific sulfur-nitrogen interactions. The compound shares certain functional characteristics with related benzothiazole derivatives like 2-butyl-1,2-benzothiazol-3-one, though each offers distinct performance profiles. OYSI maintains availability of this technical-grade chemical compound for qualified industrial customers requiring specialized benzothiazole derivatives for advanced applications.

Safety & Classification

Danger
Classification:

Skin Corr. 1B; Skin Sens. 1; Aquatic Acute 1; Aquatic Chronic 1

HHazard Statements (H-Statements)

Describe the nature and severity of the hazard

H314

Causes severe skin burns and eye damage.

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

Harmful

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:

Eye Contact

Harmful

Measures if substance gets into the eyes

First Aid Actions

  • +P305IF IN EYES:
  • +P351Rinse cautiously with water for several minutes.
  • +P338Remove contact lenses, if present and easy to do. Continue rinsing.
  • +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 Number3263
ADR Class8
Packing GroupII
Tunnel CodeE
Proper Shipping Name3-(Bis(2-ethylhexyl)aminomethyl)benzothiazol-2(3H)thion
Marine PollutantNo

Frequently Asked Questions

What is 3-[[bis(2-ethylhexyl)amino]methyl]-1,3-benzothiazole-2-thione?

3-[[bis(2-ethylhexyl)amino]methyl]-1,3-benzothiazole-2-thione is an organic chemical compound with the molecular formula C24H40N2S2 and CAS number 105254-85-1. This benzothiazole derivative has a molecular weight of 420.7 g/mol and contains sulfur and nitrogen functional groups. It is classified as a corrosive and sensitizing substance with significant environmental hazards, requiring careful handling and specialized safety measures in industrial applications.

What are the physicochemical properties of 3-[[bis(2-ethylhexyl)amino]methyl]-1,3-benzothiazole-2-thione?

This compound is a complex organic molecule with the formula C24H40N2S2 and molecular weight of 420.7 g/mol. Its structure contains a benzothiazole ring system with bis(2-ethylhexyl)amino substituents, giving it lipophilic characteristics. The presence of sulfur atoms and the thione functional group influences its chemical reactivity. Specific physical properties like melting point, boiling point, and solubility data would require detailed analytical characterization for precise determination.

What is 3-[[bis(2-ethylhexyl)amino]methyl]-1,3-benzothiazole-2-thione used for?

This benzothiazole derivative is typically used in specialized industrial applications, particularly in chemical synthesis and materials science. Its complex structure with amino and thione functional groups makes it suitable for applications in polymer chemistry, as a chemical intermediate, or in specialty formulations. The specific end-uses depend on its reactivity profile and compatibility with other chemical systems, though detailed application information requires consultation with technical specialists.

How to handle 3-[[bis(2-ethylhexyl)amino]methyl]-1,3-benzothiazole-2-thione safely?

This substance requires extreme caution due to its Skin Corr. 1B and Skin Sens. 1 classifications. Essential PPE includes chemical-resistant gloves, safety goggles, face protection, and appropriate protective clothing. Work must be conducted in well-ventilated areas or under fume extraction. Avoid direct skin and eye contact completely. Emergency eyewash and safety shower facilities must be readily accessible. Personnel should be trained in handling corrosive materials before use.

How to store 3-[[bis(2-ethylhexyl)amino]methyl]-1,3-benzothiazole-2-thione correctly?

This corrosive substance must be stored in appropriate chemical-resistant containers in a cool, dry, well-ventilated area away from incompatible materials. Storage areas should have secondary containment and be equipped with appropriate spill control measures. Keep containers tightly closed and properly labeled. Due to its environmental hazards (Aquatic Acute 1; Aquatic Chronic 1), prevent any release to environmental compartments. Regular container inspection is essential to prevent leakage.

What to do in case of contact with 3-[[bis(2-ethylhexyl)amino]methyl]-1,3-benzothiazole-2-thione?

Immediate action is critical due to the corrosive nature of this substance. For skin contact, immediately remove contaminated clothing and rinse affected areas with copious amounts of water for at least 15-20 minutes. For eye contact, flush immediately with water and seek urgent medical attention. If inhaled, move to fresh air immediately. Do not induce vomiting if ingested. Seek immediate medical attention for all exposure routes and provide safety data sheet to medical personnel.

How to dispose of 3-[[bis(2-ethylhexyl)amino]methyl]-1,3-benzothiazole-2-thione appropriately?

This substance requires disposal as hazardous waste through licensed waste management companies due to its corrosive and environmentally hazardous properties. Never discharge to sewers, waterways, or soil due to its Aquatic Acute 1 and Aquatic Chronic 1 classifications. Disposal methods may include high-temperature incineration or specialized chemical treatment. Consult local environmental regulations and waste disposal authorities for specific requirements. Empty containers may also require special handling as hazardous waste.

How to transport 3-[[bis(2-ethylhexyl)amino]methyl]-1,3-benzothiazole-2-thione?

This substance is classified under ADR Class 8 (corrosive substances), Packing Group II, indicating significant transport hazards. Transportation requires appropriate dangerous goods packaging, labeling, and documentation according to international transport regulations. Vehicles must carry proper emergency equipment and drivers need dangerous goods training. Shipments require proper hazard labels and transport documents. Only authorized carriers experienced in handling corrosive materials should transport this substance.

Is 3-[[bis(2-ethylhexyl)amino]methyl]-1,3-benzothiazole-2-thione subject to specific regulations?

This substance is subject to multiple regulatory frameworks including REACH registration requirements in Europe and CLP classification obligations. It is not currently listed as a Substance of Very High Concern (SVHC), but its corrosive and sensitizing properties trigger specific handling, labeling, and safety data sheet requirements. Environmental regulations apply due to its aquatic toxicity. Users must comply with occupational exposure limits and waste management regulations in their respective jurisdictions.

Where to buy 3-[[bis(2-ethylhexyl)amino]methyl]-1,3-benzothiazole-2-thione in Europe?

OYSI serves as a reliable European distributor for this specialized chemical compound, offering professional-grade material with complete regulatory compliance and technical support. As an established chemical distributor, OYSI provides proper documentation, safety data sheets, and regulatory compliance for European markets. For availability, specifications, packaging options, and technical information, contact OYSI's technical sales team who can provide detailed product information and application support for your specific requirements.

Services for 3-[[bis(2-ethylhexyl)amino]methyl]-1,3-benzothiazole-2-thione

ADR Consulting for 3-[[bis(2-ethylhexyl)amino]methyl]-1,3-benzothiazole-2-thione

3-[[bis(2-ethylhexyl)amino]methyl]-1,3-benzothiazole-2-thione is a dangerous good. We support you with labeling, packaging, and transport documentation.

Request ADR Advice

Data Sources

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