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

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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 a specialized benzothiazole derivative featuring both thione functionality and branched alkyl amino substituents. This complex organic compound belongs to the benzothiazole family, characterized by its distinctive heterocyclic structure containing both sulfur and nitrogen atoms. The molecule features a benzothiazole-2-thione core substituted with a bis(2-ethylhexyl)aminomethyl group, which imparts specific solubility and performance characteristics. With a molecular formula of C24H40N2S2 and molecular weight of 420.7 g/mol, this substance exhibits unique chemical properties that make it valuable in specialized industrial applications. The compound presents significant safety considerations, classified under multiple hazard categories including skin corrosion (Skin Corr. 1B), skin sensitization (Skin Sens. 1), and aquatic toxicity (Aquatic Acute 1, Aquatic Chronic 1). The danger signal word and associated GHS pictograms (GHS05, GHS07, GHS09) indicate the need for appropriate handling precautions and personal protective equipment. Its ADR classification as Class 8 reflects its corrosive nature during transport. Primary industrial applications include use as a specialized additive in polymer formulations, where it functions as a processing aid or stabilizer. The compound also finds application in rubber and elastomer industries, where benzothiazole derivatives are commonly employed for their vulcanization and stabilization properties. Similar to other nitrogen-containing compounds like 1-dodecylpyrrolidin-2-one, it may serve as a specialized solvent or reaction medium in certain chemical processes. OYSI maintains availability of this technical-grade benzothiazole derivative to support European industrial customers requiring specialized chemical intermediates and additives.

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 features a complex structure with bis(2-ethylhexyl)amino substituents and has a molecular weight of 420.7 g/mol. It is classified as a hazardous substance with corrosive and sensitizing properties, requiring careful handling in industrial applications.

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

3-[[bis(2-ethylhexyl)amino]methyl]-1,3-benzothiazole-2-thione has a molecular weight of 420.7 g/mol and molecular formula C24H40N2S2. As a benzothiazole derivative with long alkyl chains, it likely exhibits good solubility in organic solvents while being poorly soluble in water. The compound's physical state, color, and odor characteristics depend on purity and formulation, but specific values require analytical testing for precise determination.

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

3-[[bis(2-ethylhexyl)amino]methyl]-1,3-benzothiazole-2-thione is primarily used as a specialty chemical in industrial applications. Benzothiazole derivatives are commonly employed as accelerators in rubber vulcanization, corrosion inhibitors, and intermediates in the synthesis of other chemical compounds. Its specific structure with bis(2-ethylhexyl)amino groups suggests potential applications in materials science, polymer chemistry, or as a processing aid in various industrial formulations.

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

3-[[bis(2-ethylhexyl)amino]methyl]-1,3-benzothiazole-2-thione requires careful handling due to its corrosive (Skin Corr. 1B) and sensitizing (Skin Sens. 1) properties. Always wear appropriate personal protective equipment including chemical-resistant gloves, safety goggles, and protective clothing. Ensure adequate ventilation and avoid skin and eye contact. Work in a well-ventilated area or use local exhaust ventilation to prevent inhalation exposure.

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

3-[[bis(2-ethylhexyl)amino]methyl]-1,3-benzothiazole-2-thione should be stored in tightly sealed containers in a cool, dry, well-ventilated area away from incompatible materials. Due to its corrosive nature, use appropriate chemical-resistant containers and avoid contact with metals that may corrode. Keep away from heat sources and direct sunlight. Store separately from oxidizing agents and other incompatible chemicals to prevent dangerous reactions.

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

Immediate first aid is crucial due to the corrosive nature of 3-[[bis(2-ethylhexyl)amino]methyl]-1,3-benzothiazole-2-thione. For skin contact, immediately remove contaminated clothing and flush with plenty of water for at least 15 minutes. For eye contact, rinse immediately with water for at least 15 minutes and seek medical attention. If inhaled, move to fresh air. Remove from exposure and seek immediate medical attention for all routes of exposure.

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

3-[[bis(2-ethylhexyl)amino]methyl]-1,3-benzothiazole-2-thione must be disposed of as hazardous waste in accordance with local, national, and international regulations. Due to its aquatic toxicity classification, prevent release to the environment. Contact licensed hazardous waste disposal companies for proper treatment and disposal. Never dispose of this substance in regular waste streams, sewers, or water bodies. Consult local environmental authorities for specific disposal requirements.

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

3-[[bis(2-ethylhexyl)amino]methyl]-1,3-benzothiazole-2-thione is classified under ADR Class 8 (corrosive substances), Packing Group II, indicating moderate danger level for transport. It requires appropriate hazardous goods packaging, labeling, and documentation according to ADR regulations. Only trained personnel should handle transportation, and vehicles must comply with ADR requirements. Proper shipping papers and emergency response information must accompany shipments throughout the transportation process.

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

3-[[bis(2-ethylhexyl)amino]methyl]-1,3-benzothiazole-2-thione is regulated under REACH and CLP regulations in Europe, requiring proper registration, classification, and labeling. While not currently listed as an SVHC (Substance of Very High Concern), its corrosive and sensitizing properties subject it to strict handling and use restrictions. Users must comply with occupational health and safety regulations, environmental protection laws, and chemical transport regulations when handling this substance.

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

3-[[bis(2-ethylhexyl)amino]methyl]-1,3-benzothiazole-2-thione is available through OYSI, a specialized European distributor of technical chemicals. OYSI provides this compound to industrial customers across Europe with proper documentation, safety data sheets, and regulatory compliance. As a specialty chemical requiring careful handling, it's available for professional and industrial use only, with appropriate packaging and hazard communication materials included with each shipment.

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