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 an organosulfur heterocyclic compound featuring a thiadiazole ring system with selective herbicidal properties. This specialized thiadiazole derivative represents an important class of nitrogen-sulfur heterocyclic compounds widely utilized in agricultural and industrial applications. The molecule combines a five-membered 1,3,4-thiadiazole ring substituted with a tert-butyl group at position 5, linked to a dimethylurea moiety. With the molecular formula C9H16N4OS and molecular weight of 228.32 g/mol, this compound exhibits unique chemical stability and biological activity characteristics typical of thiadiazole-based active substances. The compound is classified under GHS as Acute Toxicity Category 4 and presents significant aquatic toxicity concerns, requiring careful handling protocols. Transport classification under ADR Class 9 (miscellaneous dangerous substances) reflects its potential environmental impact. The warning label and associated GHS pictograms GHS07 and GHS09 indicate both health hazards and environmental dangers that must be considered during storage, handling, and application. Industrial applications primarily focus on selective herbicide formulations where the thiadiazole structure provides targeted phytotoxic activity. The compound's mechanism involves interference with specific plant metabolic pathways while maintaining selectivity profiles. Additional applications include use as an intermediate in agrochemical synthesis and as a research tool in phytochemistry studies. Related compounds in this chemical space include 2-N,4-N-diethyl-6-methylsulfanyl-1,3,5-triazine-2,4-diamine, which shares similar nitrogen-heterocyclic characteristics and agricultural applications. OYSI maintains reliable supply chains for 1-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1,3-dimethylurea to support European industrial and research requirements with appropriate safety documentation and regulatory compliance.

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 CAS number 34014-18-1. This thiadiazole derivative has a molecular weight of 228.32 g/mol and contains both urea and thiadiazole functional groups. The compound is classified as moderately toxic (Acute Tox. 4) and poses significant environmental hazards to aquatic life, requiring careful handling and disposal procedures.

What are the physico-chemical 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 compound at room temperature with a molecular weight of 228.32 g/mol. The molecule contains sulfur, nitrogen, and oxygen heteroatoms within its thiadiazole and urea moieties. Its tert-butyl substituent provides steric hindrance and influences its physical properties. The compound's solubility characteristics depend on the solvent polarity, with the polar urea group and nonpolar tert-butyl group affecting dissolution behavior.

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 pesticide formulations and agricultural applications. Thiadiazole derivatives are known for their biological activity, particularly as herbicides or fungicides. The compound may also serve as an intermediate in the synthesis of other agrochemical products or pharmaceutical compounds. Its specific activity profile makes it valuable in crop protection applications where controlled biological activity is required.

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

Safe handling of 1-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1,3-dimethylurea requires appropriate personal protective equipment including chemical-resistant gloves, safety goggles, and protective clothing. Work in well-ventilated areas or use local exhaust ventilation to prevent inhalation exposure. Avoid skin and eye contact, and never eat, drink, or smoke while handling the substance. Wash hands thoroughly after use and ensure emergency shower and eyewash stations are accessible in the work area.

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

Store 1-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1,3-dimethylurea in a cool, dry, well-ventilated area away from heat sources and direct sunlight. Keep containers tightly closed and use original packaging when possible. Store separately from food, feed, and drinking water to prevent contamination. Due to its aquatic toxicity classification, ensure storage areas have appropriate spill containment measures to prevent environmental release. Maintain storage temperature according to supplier specifications and regularly inspect containers for damage.

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 remove contaminated clothing and rinse affected area with plenty of water for at least 15 minutes. For eye contact, flush thoroughly with water and seek immediate medical attention. If inhaled, move to fresh air and monitor breathing. If ingested, do not induce vomiting and seek medical attention immediately. Always consult the safety data sheet and contact emergency services if symptoms develop or persist.

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

Disposal of 1-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1,3-dimethylurea must follow local and national hazardous waste regulations due to its toxicity classification. Never dispose of the substance down drains or into the environment given its aquatic toxicity profile. Contact licensed hazardous waste disposal companies for proper treatment and disposal. Small quantities may require incineration at authorized facilities. Always check with local environmental authorities for specific disposal requirements and obtain proper waste classification codes before disposal.

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

Transportation of 1-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1,3-dimethylurea is regulated under ADR Class 9 (Miscellaneous dangerous substances), Packing Group III. This classification indicates moderate danger during transport. Use appropriate packaging that meets UN specification requirements and ensure proper labeling with hazard markings. Transport documentation must include proper shipping names and hazard information. Drivers should be trained in dangerous goods transport and emergency response procedures. Avoid transport during extreme weather conditions.

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

1-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1,3-dimethylurea is subject to REACH regulation for chemical registration and evaluation within the EU. The substance is not currently identified as a SVHC (Substance of Very High Concern). It falls under CLP regulation for classification and labeling requirements, displaying GHS07 and GHS09 pictograms with 'Warning' signal word. Additional regulations may apply for pesticide uses, requiring specific authorizations and registrations under relevant plant protection product legislation.

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

OYSI serves as a reliable European distributor for 1-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1,3-dimethylurea, offering professional-grade chemical supply services across European markets. As an established chemical distributor, OYSI ensures proper handling, documentation, and regulatory compliance for industrial customers. The company provides technical support and safety documentation to facilitate safe use. Contact OYSI directly to discuss availability, specifications, packaging options, and delivery arrangements for your specific requirements in the European market.

Data Sources

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