1-(1,3-benzothiazol-2-yl)-1,3-dimethylurea

C10H11N3OS

CAS18691-97-9
GHS09 Gefahrensymbol: Umweltgefährlich – Umwelt
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Identification

CAS Number
18691-97-9
EC Number
242-505-0
UN Number
3077
Index Number
613-137-00-1
PubChem CID
29216

Physical-chemical properties

Molecular Formula
C10H11N3OS
Molar Mass
221.28 g/mol
IUPAC Name
1-(1,3-benzothiazol-2-yl)-1,3-dimethylurea

Chemical Identifiers

InChI
InChI=1S/C10H11N3OS/c1-11-9(14)13(2)10-12-7-5-3-4-6-8(7)15-10/h3-6H,1-2H3,(H,11,14)
InChI Key
RRVIAQKBTUQODI-UHFFFAOYSA-N

Overview

1-(1,3-benzothiazol-2-yl)-1,3-dimethylurea (CAS 18691-97-9) is a benzothiazole-derived urea compound with specialized industrial applications and significant aquatic toxicity properties. This organic compound, with molecular formula C10H11N3OS and molecular weight 221.28 g/mol, belongs to the family of substituted ureas containing a benzothiazole moiety. The benzothiazole ring system provides unique chemical reactivity and stability characteristics that make this compound valuable in various technical applications. The presence of both nitrogen and sulfur heteroatoms in its structure contributes to its distinctive properties and potential for coordination chemistry applications. From a safety perspective, 1-(1,3-benzothiazol-2-yl)-1,3-dimethylurea is classified under the GHS system with the environmental hazard pictogram (GHS09) and carries a "Warning" signal word. The compound presents Aquatic Acute 1 and Aquatic Chronic 1 hazard classifications, indicating severe toxicity to aquatic organisms with long-lasting effects. Transportation falls under ADR Class 9 (miscellaneous dangerous substances), requiring appropriate handling protocols during shipping and storage. In industrial applications, this benzothiazole derivative finds primary use in pharmaceutical intermediates synthesis, where its unique structural features enable specific chemical transformations. The compound also serves as a building block in agrochemical formulations and specialized polymer additives. Unlike related compounds such as 1-N,1-N,3-N,3-N-tetracyclohexylbenzene-1,3-dicarboxamide, this particular urea derivative offers enhanced solubility characteristics in organic solvents, making it suitable for solution-phase reactions. The compound's applications extend to research and development sectors, particularly in medicinal chemistry where benzothiazole motifs are extensively studied for bioactive properties. Quality control laboratories also utilize this substance as an analytical reference standard for related compound identification and quantification procedures. OYSI provides 1-(1,3-benzothiazol-2-yl)-1,3-dimethylurea with comprehensive technical documentation and regulatory compliance support for European customers.

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 NameMethabenzthiazuron (ISO)
Marine PollutantNo

Frequently Asked Questions

What is 1-(1,3-benzothiazol-2-yl)-1,3-dimethylurea?

1-(1,3-benzothiazol-2-yl)-1,3-dimethylurea is an organic chemical compound with the molecular formula C10H11N3OS and CAS number 18691-97-9. This compound features a benzothiazole ring system linked to a dimethylurea moiety, giving it a molecular weight of 221.28 g/mol. It is classified as hazardous to aquatic environments and requires careful handling according to GHS regulations.

What are the physicochemical properties of 1-(1,3-benzothiazol-2-yl)-1,3-dimethylurea?

1-(1,3-benzothiazol-2-yl)-1,3-dimethylurea has a molecular weight of 221.28 g/mol and contains sulfur, nitrogen, and oxygen atoms within its benzothiazole-urea structure. The compound's specific physical properties such as melting point, boiling point, and solubility characteristics depend on the particular grade and purity. Its chemical structure suggests moderate polarity due to the presence of both aromatic and urea functional groups.

What is 1-(1,3-benzothiazol-2-yl)-1,3-dimethylurea used for?

1-(1,3-benzothiazol-2-yl)-1,3-dimethylurea is primarily used as an intermediate in chemical synthesis and pharmaceutical research applications. The benzothiazole structure makes it valuable for developing compounds with biological activity, while the urea functionality provides additional reactivity for chemical modifications. It may also serve as a building block in the production of specialty chemicals and research compounds in laboratory settings.

How to handle 1-(1,3-benzothiazol-2-yl)-1,3-dimethylurea safely?

1-(1,3-benzothiazol-2-yl)-1,3-dimethylurea requires careful handling due to its aquatic toxicity classification. Use appropriate personal protective equipment including safety glasses, gloves, and lab coats. Ensure adequate ventilation in work areas and avoid release to the environment. Handle in designated chemical areas with proper containment measures. Follow standard laboratory safety protocols and consult the safety data sheet for specific precautions and emergency procedures.

How to store 1-(1,3-benzothiazol-2-yl)-1,3-dimethylurea correctly?

1-(1,3-benzothiazol-2-yl)-1,3-dimethylurea should be stored in a cool, dry, well-ventilated area away from incompatible materials. Keep containers tightly closed and protected from moisture and direct sunlight. Store in designated chemical storage areas with appropriate secondary containment to prevent environmental release. Maintain proper inventory records and ensure containers are properly labeled. Follow local regulations for chemical storage and separate from food and feed products.

What to do in case of contact with 1-(1,3-benzothiazol-2-yl)-1,3-dimethylurea?

In case of skin contact with 1-(1,3-benzothiazol-2-yl)-1,3-dimethylurea, immediately wash with plenty of soap and water for at least 15 minutes. For eye contact, rinse thoroughly with clean water for 15 minutes and seek medical attention. If inhaled, move to fresh air immediately. In case of ingestion, do not induce vomiting and seek immediate medical attention. Always consult the safety data sheet and contact emergency services if serious exposure occurs.

How to dispose of 1-(1,3-benzothiazol-2-yl)-1,3-dimethylurea appropriately?

1-(1,3-benzothiazol-2-yl)-1,3-dimethylurea must be disposed of as hazardous waste due to its aquatic toxicity classification. Never discharge to sewers, waterways, or the environment. Contact licensed hazardous waste disposal companies for proper treatment and disposal. Follow local and national regulations for hazardous waste management. Package waste securely with proper labeling and documentation. Consider waste minimization strategies and recovery options where technically feasible.

How to transport 1-(1,3-benzothiazol-2-yl)-1,3-dimethylurea?

1-(1,3-benzothiazol-2-yl)-1,3-dimethylurea is classified as ADR Class 9 (Miscellaneous dangerous goods), Packing Group III for transport purposes. This classification requires appropriate packaging, labeling, and documentation according to dangerous goods regulations. Use UN-approved packaging and ensure proper hazard labels are affixed. Transport vehicles must comply with ADR requirements including proper placarding and driver training. Consult current transport regulations for specific requirements.

Is 1-(1,3-benzothiazol-2-yl)-1,3-dimethylurea subject to specific regulations?

1-(1,3-benzothiazol-2-yl)-1,3-dimethylurea is regulated under the CLP Regulation with GHS09 pictogram and Warning signal word due to its aquatic toxicity. It falls under REACH registration requirements for chemical substances in the European Union. The compound is not currently listed as a Substance of Very High Concern (SVHC). Users must comply with occupational safety regulations and environmental protection laws regarding aquatic pollutants.

Where to buy 1-(1,3-benzothiazol-2-yl)-1,3-dimethylurea in Europe?

1-(1,3-benzothiazol-2-yl)-1,3-dimethylurea is available through OYSI, a specialized European distributor of technical chemicals and intermediates. OYSI provides this compound to research institutions, pharmaceutical companies, and chemical manufacturers across Europe. As an established chemical distributor, OYSI ensures proper handling, documentation, and regulatory compliance for chemical supplies. Contact OYSI directly for availability, specifications, and technical support for your specific application requirements.

Data Sources

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