1-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1,3-dimethylurea

C9H16N4OS

CAS34014-18-1
GHS07 Gefahrensymbol: Gesundheitsschädlich/Reizend – Ausrufezeichen
GHS09 Gefahrensymbol: Umweltgefährlich – Umwelt
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Identification

CAS Number
34014-18-1
EC Number
251-793-7
UN Number
3077
Index Number
616-020-00-3
PubChem CID
5383

Physical-chemical properties

Molecular Formula
C9H16N4OS
Molar Mass
228.32 g/mol
IUPAC Name
1-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1,3-dimethylurea

Chemical Identifiers

InChI
InChI=1S/C9H16N4OS/c1-9(2,3)6-11-12-8(15-6)13(5)7(14)10-4/h1-5H3,(H,10,14)
InChI Key
HBPDKDSFLXWOAE-UHFFFAOYSA-N

Overview

1-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1,3-dimethylurea (CAS 34014-18-1) is a heterocyclic urea derivative with thiadiazole functionality and selective herbicidal properties. This specialized organic compound represents an important class of nitrogen-sulfur heterocyclic chemicals widely utilized in agricultural and industrial applications. With its molecular formula C9H16N4OS and molecular weight of 228.32 g/mol, this thiadiazole-urea hybrid exhibits unique chemical properties derived from both its heterocyclic ring system and substituted urea moiety. The tert-butyl group provides steric hindrance and enhanced stability, while the dimethylurea portion contributes to its biological activity profile. The compound is classified under multiple hazard categories, including Acute Toxicity Category 4 and Aquatic toxicity (both acute and chronic Category 1), requiring careful handling protocols. The GHS07 and GHS09 pictograms indicate both health hazards and environmental concerns, with "Warning" as the signal word. Transportation falls under ADR Class 9 (miscellaneous dangerous goods), necessitating appropriate shipping documentation and packaging requirements. Primary industrial applications include use as a selective herbicide active ingredient, particularly effective against broadleaf weeds and certain grasses. The compound also serves as an intermediate in the synthesis of more complex agrochemical formulations and finds applications in specialized chemical research. Unlike related compounds such as 2-N,4-N-diethyl-6-methylsulfanyl-1,3,5-triazine-2,4-diamine, this thiadiazole derivative offers distinct selectivity patterns and environmental fate characteristics. OYSI maintains reliable supply chains for this technical-grade compound, supporting European customers with comprehensive documentation and regulatory compliance assistance for industrial and research applications.

Safety & Classification

Warning
Classification:

Acute Tox. 4 *; Aquatic Acute 1; Aquatic Chronic 1

HHazard Statements (H-Statements)

Describe the nature and severity of the hazard

H302

Harmful if swallowed.

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

Ingestion

Harmful

Measures if substance is accidentally swallowed

First Aid Actions

  • +P301IF SWALLOWED:
  • +P330Rinse mouth.
  • +P331Do NOT induce vomiting.
  • +P310Immediately call a POISON CENTER/doctor.

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 NameTebuthiuron (ISO)
Marine PollutantNo

Frequently Asked Questions

What is 1-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1,3-dimethylurea?

1-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1,3-dimethylurea is an organic compound with the molecular formula C9H16N4OS and molecular weight of 228.32 g/mol. This thiadiazole derivative contains a urea functional group and is classified as moderately toxic with environmental hazard properties. It carries the CAS number 34014-18-1 and requires careful handling due to its acute toxicity and aquatic toxicity characteristics.

What are the physicochemical properties of 1-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1,3-dimethylurea?

1-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1,3-dimethylurea is a solid organic compound with a molecular weight of 228.32 g/mol. The substance contains nitrogen, sulfur, and oxygen heteroatoms within its thiadiazole ring structure. Its solubility and physical appearance characteristics would depend on specific formulation, but the compound's structure suggests moderate polarity due to the urea and thiadiazole functional groups present in the molecule.

What is 1-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1,3-dimethylurea used for?

1-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1,3-dimethylurea is primarily used as an active ingredient in agricultural applications, particularly as a herbicide. The thiadiazole-urea structure provides selective herbicidal activity against certain weed species. It may also serve as an intermediate in the synthesis of other agrochemical compounds or specialty chemicals. Industrial applications typically involve crop protection formulations where controlled weed management is required.

How to handle 1-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1,3-dimethylurea safely?

1-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1,3-dimethylurea requires careful handling due to its Acute Tox. 4 classification. Wear appropriate personal protective equipment including chemical-resistant gloves, safety goggles, and protective clothing. Ensure adequate ventilation in work areas and avoid inhalation, skin contact, or ingestion. Handle in controlled environments away from food, drink, and smoking materials. Wash hands thoroughly after handling and follow good industrial hygiene practices throughout all operations.

How to store 1-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1,3-dimethylurea correctly?

1-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1,3-dimethylurea should be stored in a cool, dry, well-ventilated area away from heat sources and direct sunlight. Keep containers tightly sealed and store away from incompatible materials, particularly strong oxidizing agents. Due to its aquatic toxicity classification, ensure storage areas have appropriate containment measures to prevent environmental release. Maintain proper labeling and restrict access to authorized personnel only.

What to do in case of contact with 1-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1,3-dimethylurea?

In case of skin contact with 1-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1,3-dimethylurea, immediately wash affected area with plenty of soap and water. For eye contact, rinse thoroughly with clean water for at least 15 minutes. If ingested, do not induce vomiting and seek immediate medical attention. In case of inhalation, move to fresh air immediately. Remove contaminated clothing and wash before reuse. Always seek professional medical advice if symptoms persist or worsen.

How to dispose of 1-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1,3-dimethylurea appropriately?

1-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1,3-dimethylurea must be disposed of as hazardous waste due to its toxicity and environmental impact. Contact licensed waste disposal companies for proper treatment and disposal. Never discharge into sewers, waterways, or soil due to its aquatic toxicity classification. Follow local and European waste regulations including the Waste Framework Directive. Ensure proper documentation and chain of custody throughout the disposal process.

How to transport 1-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1,3-dimethylurea?

1-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1,3-dimethylurea is classified as ADR Class 9 (Miscellaneous dangerous goods), Packing Group III. Transport requires appropriate hazardous goods documentation, proper packaging, and labeling according to ADR regulations. Vehicles must carry appropriate placards and emergency information. Drivers need hazardous goods training certification. Ensure packages are secured, properly marked, and accompanied by transport documents throughout the journey across European territories.

Is 1-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1,3-dimethylurea subject to specific regulations?

1-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1,3-dimethylurea is subject to REACH and CLP regulations within the European Union. The substance is not currently listed as an SVHC (Substance of Very High Concern). It requires proper classification and labeling with Warning signal word and appropriate GHS pictograms (GHS07, GHS09). Companies must comply with registration, evaluation, and safety data sheet requirements. Additional restrictions may apply for specific applications or concentrations.

Where to buy 1-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1,3-dimethylurea in Europe?

1-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1,3-dimethylurea is available through OYSI, a specialized European distributor of technical chemicals. OYSI provides this substance to qualified industrial customers with proper documentation and regulatory compliance. As a professional chemical distributor, OYSI ensures appropriate packaging, labeling, and transportation according to European standards. Contact OYSI directly for availability, technical specifications, and regulatory documentation required for your specific application needs.

Data Sources

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