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 aquatic toxicity concerns. This organic compound belongs to the benzothiazole family, characterized by its heterocyclic structure combining benzene and thiazole rings with a dimethylurea functional group. With a molecular formula of C10H11N3OS and molecular weight of 221.28 g/mol, this substance exhibits unique chemical properties that make it valuable in specific industrial applications. The compound's structure incorporates both nitrogen and sulfur heteroatoms, contributing to its distinctive reactivity profile and stability characteristics. From a safety perspective, 1-(1,3-benzothiazol-2-yl)-1,3-dimethylurea requires careful handling due to its classification as Aquatic Acute 1 and Aquatic Chronic 1, indicating significant environmental hazards to aquatic ecosystems. The substance carries a Warning signal word and displays the GHS09 pictogram, emphasizing its environmental impact potential. As a Class 9 ADR material, it falls under miscellaneous dangerous substances for transport purposes, necessitating appropriate logistics protocols. Industrial applications typically include use as a chemical intermediate in pharmaceutical synthesis, specialty polymer production, and as a component in advanced material formulations. The compound's benzothiazole structure makes it particularly relevant in applications requiring specific binding properties or biological activity, similar to how other complex organic compounds like 1-N,1-N,3-N,3-N-tetracyclohexylbenzene-1,3-dicarboxamide serve specialized industrial functions. OYSI maintains reliable supply chains for this specialized chemical, ensuring consistent availability for European industrial customers requiring high-quality benzothiazole derivatives for their technical applications.

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 compound with the molecular formula C10H11N3OS and CAS number 18691-97-9. This chemical substance belongs to the benzothiazole derivative family and contains both urea and benzothiazole functional groups in its structure. With 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 mass of 221.28 g/mol and contains nitrogen, sulfur, and oxygen heteroatoms within its benzothiazole-urea structure. The compound's specific physical properties such as melting point, boiling point, and solubility characteristics should be confirmed through technical documentation. Its chemical structure suggests moderate polarity due to the presence of urea and benzothiazole moieties.

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 in specialized chemical applications where benzothiazole derivatives are required. Its specific industrial applications depend on its unique chemical properties combining benzothiazole and dimethylurea functionalities. The compound may find use in research and development, pharmaceutical intermediates, or specialty chemical synthesis. Detailed application information should be confirmed with technical specifications from suppliers.

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

1-(1,3-benzothiazol-2-yl)-1,3-dimethylurea requires standard laboratory safety precautions including wearing appropriate personal protective equipment such as safety goggles, gloves, and lab coats. Work in well-ventilated areas or under fume hoods to avoid inhalation. The compound is particularly hazardous to aquatic environments, so prevent environmental release. Follow GHS warning guidelines and ensure proper training before handling this chemical substance.

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 place away from direct sunlight and heat sources. Keep containers tightly closed and properly labeled according to GHS requirements. Store separately from incompatible materials and ensure adequate ventilation in storage areas. Given its aquatic toxicity classification, implement measures to prevent accidental spills that could reach water systems. Follow local regulations for chemical storage.

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 the affected area with plenty of soap and water. For eye contact, rinse thoroughly with clean water for at least 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 care. Always consult the safety data sheet for detailed first aid procedures.

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

1-(1,3-benzothiazol-2-yl)-1,3-dimethylurea must be disposed of as hazardous waste through licensed waste management companies due to its aquatic toxicity classification. Never discharge into drains, water systems, or soil as it poses significant environmental risks. Collect waste in appropriate containers and label clearly. Follow local and EU waste regulations including the Waste Framework Directive. Incineration at authorized facilities may be the preferred disposal method.

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 substances), Packing Group III for transport purposes. This classification requires appropriate packaging, labeling, and documentation according to ADR regulations. Use UN-approved packaging and display proper hazard labels during shipment. Transport vehicles must comply with ADR requirements and drivers need appropriate training. Ensure proper segregation from incompatible materials during transport.

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

1-(1,3-benzothiazol-2-yl)-1,3-dimethylurea is subject to EU CLP regulation requiring GHS classification as Aquatic Acute 1 and Aquatic Chronic 1 with warning signal word. It falls under REACH regulation for registration and authorization requirements. The substance is not currently listed as SVHC (Substance of Very High Concern). Compliance with national chemical regulations and proper SDS provision is mandatory for commercial use.

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 leading European distributor of specialty chemicals. OYSI provides this compound with proper documentation including safety data sheets and certificates of analysis. As a specialized chemical distributor, OYSI ensures compliance with European regulations including REACH and CLP requirements. Contact OYSI directly for availability, specifications, and technical support for this benzothiazole derivative.

Data Sources

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