4-amino-6-tert-butyl-3-methylsulfanyl-1,2,4-triazin-5-one

C8H14N4OS

CAS21087-64-9
GHS07 Gefahrensymbol: Gesundheitsschädlich/Reizend – Ausrufezeichen
GHS08 Gefahrensymbol: Gesundheitsgefahr – Gesundheitsgefahr
GHS09 Gefahrensymbol: Umweltgefährlich – Umwelt
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Identification

CAS Number
21087-64-9
EC Number
244-209-7
UN Number
3077
Index Number
606-034-00-8
PubChem CID
30479

Physical-chemical properties

Molecular Formula
C8H14N4OS
Molar Mass
214.29 g/mol
IUPAC Name
4-amino-6-tert-butyl-3-methylsulfanyl-1,2,4-triazin-5-one

Chemical Identifiers

InChI
InChI=1S/C8H14N4OS/c1-8(2,3)5-6(13)12(9)7(14-4)11-10-5/h9H2,1-4H3
InChI Key
FOXFZRUHNHCZPX-UHFFFAOYSA-N

Overview

4-amino-6-tert-butyl-3-methylsulfanyl-1,2,4-triazin-5-one (CAS 21087-64-9) is a triazine-based chemical compound with selective biological activity and specialized industrial applications. This heterocyclic compound features a triazinone core structure substituted with amino, tert-butyl, and methylsulfanyl functional groups, giving it distinct chemical and biological properties. With a molecular formula of C8H14N4OS and molecular weight of 214.29 g/mol, this substance belongs to the triazine family of compounds known for their diverse applications in agricultural and industrial sectors. The compound exhibits significant biological activity, which necessitates careful handling protocols. It is classified under multiple hazard categories including Acute Toxicity Category 4, Specific Target Organ Toxicity Repeated Exposure Category 2, and Aquatic Acute and Chronic Toxicity Category 1. These classifications require appropriate safety measures during storage, handling, and transportation, reflected in its ADR Class 9 designation and GHS pictograms including GHS07, GHS08, and GHS09. Safety considerations are paramount when working with this material due to its potential effects on human health and environmental impact. The compound's aquatic toxicity profile particularly demands careful waste management and environmental protection measures. Like related compounds such as S-ethyl 2-(4-chloro-2-methylphenoxy)ethanethioate, proper containment and disposal procedures are essential. Primary industrial applications include use as an intermediate in pharmaceutical synthesis, agricultural chemical production, and specialized research applications where its unique triazinone structure provides specific reactivity patterns. The compound's structural features make it valuable in developing selective biological agents and as a building block in complex organic synthesis. OYSI maintains reliable supply chains for 4-amino-6-tert-butyl-3-methylsulfanyl-1,2,4-triazin-5-one to support European industrial customers with comprehensive documentation and regulatory compliance.

Safety & Classification

Warning
Classification:

Acute Tox. 4; STOT RE 2; Aquatic Acute 1; Aquatic Chronic 1

HHazard Statements (H-Statements)

Describe the nature and severity of the hazard

H302

Harmful if swallowed.

H373

May cause damage to organs through prolonged or repeated exposure.

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 NameMetribuzin (ISO)
Marine PollutantNo

Frequently Asked Questions

What is 4-amino-6-tert-butyl-3-methylsulfanyl-1,2,4-triazin-5-one?

4-amino-6-tert-butyl-3-methylsulfanyl-1,2,4-triazin-5-one is an organic chemical compound with the molecular formula C8H14N4OS and CAS number 21087-64-9. This triazinone derivative has a molecular weight of 214.29 g/mol and contains amino, tert-butyl, and methylsulfanyl functional groups attached to a triazine ring structure. The compound is classified as hazardous with acute toxicity and environmental concerns.

What are the physicochemical properties of 4-amino-6-tert-butyl-3-methylsulfanyl-1,2,4-triazin-5-one?

4-amino-6-tert-butyl-3-methylsulfanyl-1,2,4-triazin-5-one is a solid organic compound with a molecular weight of 214.29 g/mol and molecular formula C8H14N4OS. The presence of the methylsulfanyl group may contribute to a characteristic sulfur-like odor. Its triazine structure with various substituents affects its solubility properties, though specific solubility data varies depending on the solvent system used.

What is 4-amino-6-tert-butyl-3-methylsulfanyl-1,2,4-triazin-5-one used for?

4-amino-6-tert-butyl-3-methylsulfanyl-1,2,4-triazin-5-one is primarily used as a chemical intermediate in pharmaceutical and agrochemical synthesis. Its triazinone structure makes it valuable in the development of herbicides, fungicides, and other biologically active compounds. The compound serves as a building block for more complex molecules in research and development applications within the chemical industry.

How to handle 4-amino-6-tert-butyl-3-methylsulfanyl-1,2,4-triazin-5-one safely?

4-amino-6-tert-butyl-3-methylsulfanyl-1,2,4-triazin-5-one requires careful handling due to its Acute Tox. 4 classification and Warning signal word. Use appropriate personal protective equipment including gloves, safety goggles, and lab coats. Ensure adequate ventilation to prevent inhalation exposure. Avoid skin and eye contact, and never eat, drink, or smoke when handling this substance. Work in a well-ventilated area or under a fume hood.

How to store 4-amino-6-tert-butyl-3-methylsulfanyl-1,2,4-triazin-5-one properly?

4-amino-6-tert-butyl-3-methylsulfanyl-1,2,4-triazin-5-one should be stored in a cool, dry, well-ventilated area away from incompatible materials. Keep containers tightly sealed to prevent contamination and moisture absorption. Store away from heat sources, direct sunlight, and ignition sources. Given its environmental hazard classification (Aquatic Acute 1, Aquatic Chronic 1), ensure proper containment to prevent environmental release.

What to do in case of contact with 4-amino-6-tert-butyl-3-methylsulfanyl-1,2,4-triazin-5-one?

In case of skin contact with 4-amino-6-tert-butyl-3-methylsulfanyl-1,2,4-triazin-5-one, immediately wash with plenty of soap and water. For eye contact, rinse thoroughly with water for at least 15 minutes and remove contact lenses if present. If inhaled, move to fresh air immediately. If swallowed, rinse mouth and drink water but do not induce vomiting. Seek medical attention if symptoms persist or for any significant exposure.

How to dispose of 4-amino-6-tert-butyl-3-methylsulfanyl-1,2,4-triazin-5-one appropriately?

4-amino-6-tert-butyl-3-methylsulfanyl-1,2,4-triazin-5-one must be disposed of as hazardous waste through licensed waste management companies due to its environmental hazard classification. Never dispose of this substance in regular trash, sewers, or waterways as it poses significant aquatic toxicity risks. Follow local and national regulations for hazardous chemical waste disposal, and maintain proper documentation for waste tracking purposes.

How to transport 4-amino-6-tert-butyl-3-methylsulfanyl-1,2,4-triazin-5-one?

4-amino-6-tert-butyl-3-methylsulfanyl-1,2,4-triazin-5-one is classified as ADR Class 9 (Miscellaneous Dangerous Goods), Packing Group III for transport purposes. This classification requires proper packaging, labeling, and documentation according to dangerous goods regulations. Use UN-approved packaging and ensure proper hazard communication through appropriate transport documents. Only trained personnel should handle the transportation of this hazardous material.

Is 4-amino-6-tert-butyl-3-methylsulfanyl-1,2,4-triazin-5-one subject to specific regulations?

4-amino-6-tert-butyl-3-methylsulfanyl-1,2,4-triazin-5-one is subject to REACH regulation for registration and safety data requirements in Europe. It is classified under CLP regulation with specific hazard classifications (Acute Tox. 4, STOT RE 2, Aquatic hazards). While not currently listed as SVHC, its environmental and health hazard profile means it must comply with standard chemical safety regulations and workplace exposure limits.

Where to buy 4-amino-6-tert-butyl-3-methylsulfanyl-1,2,4-triazin-5-one in Europe?

4-amino-6-tert-butyl-3-methylsulfanyl-1,2,4-triazin-5-one is available through OYSI, a specialized European distributor of technical chemicals. OYSI provides this compound to industrial customers, research institutions, and chemical manufacturers across Europe. As a professional chemical distributor, OYSI ensures proper handling, documentation, and regulatory compliance for this hazardous substance. Contact OYSI directly for availability, specifications, and technical support.

Data Sources

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