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 heterocyclic triazine derivative with selective herbicidal properties and sulfur-containing functional groups. This specialized triazine compound features a unique molecular structure combining amino, tert-butyl, and methylsulfanyl substituents on a triazinone core framework. With the molecular formula C8H14N4OS and a molecular weight of 214.29 g/mol, this substance exhibits distinctive chemical properties that make it valuable for specific industrial applications. The presence of both nitrogen-rich heterocyclic systems and sulfur functionality provides this compound with particular reactivity patterns and biological activity profiles. From a safety perspective, 4-amino-6-tert-butyl-3-methylsulfanyl-1,2,4-triazin-5-one requires careful handling due to its classification as Acute Tox. 4 and STOT RE 2, indicating potential health hazards upon exposure. The compound also presents environmental concerns with its Aquatic Acute 1 and Aquatic Chronic 1 classifications, requiring appropriate containment measures. The GHS07, GHS08, and GHS09 pictograms with "Warning" signal word emphasize the need for proper personal protective equipment and storage protocols. Its ADR Class 9 designation classifies it as a miscellaneous dangerous substance for transportation purposes. Primary industrial applications include agricultural formulations where it serves as an active ingredient in selective herbicide products, particularly effective against certain weed species. The compound also finds use in chemical synthesis as an intermediate for developing related triazine derivatives, similar to applications involving compounds like S-ethyl 2-(4-chloro-2-methylphenoxy)ethanethioate in agricultural chemistry. Additionally, it serves specialized roles in pharmaceutical research and development programs. OYSI maintains reliable supply chains for 4-amino-6-tert-butyl-3-methylsulfanyl-1,2,4-triazin-5-one to support European industrial customers requiring this specialized triazine compound.

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 belonging to the triazinone family with the molecular formula C8H14N4OS. This substance has a molecular weight of 214.29 g/mol and is identified by CAS number 21087-64-9. It features a triazine ring structure substituted with amino, tert-butyl, and methylsulfanyl groups, giving it specific chemical properties for various industrial applications.

What are the physico-chemical 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 compound with a molecular weight of 214.29 g/mol and molecular formula C8H14N4OS. The presence of the methylsulfanyl group and triazine ring structure influences its solubility characteristics and stability. Its tert-butyl substituent provides steric hindrance, affecting its reactivity patterns. Specific physical properties like melting point, color, and solubility should be confirmed through product specifications or safety data sheets.

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 an intermediate in pharmaceutical synthesis and agrochemical manufacturing. Its triazinone structure makes it valuable for developing herbicides, fungicides, or other bioactive compounds. The compound may also serve as a building block in organic synthesis for creating more complex molecules. Industrial applications typically involve chemical manufacturing processes where its specific functional groups provide desired reactivity patterns.

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 potential for repeated dose toxicity. Use appropriate personal protective equipment including chemical-resistant gloves, safety goggles, and protective clothing. Ensure adequate ventilation in work areas and avoid creating dust or aerosols. Handle in designated areas away from incompatible materials, and wash hands thoroughly after use. Follow standard chemical hygiene protocols and refer to the safety data sheet for specific guidance.

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

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 and ignition sources. Keep containers tightly closed and properly labeled in accordance with CLP regulations. Store away from oxidizing agents and strong acids or bases. The storage area should be secured and accessible only to trained personnel. Regularly inspect containers for damage and maintain an inventory system to ensure proper stock rotation and traceability.

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 remove contaminated clothing and wash the affected area with plenty of soap and water. For eye contact, rinse immediately with clean water for at least 15 minutes. If inhaled, move to fresh air and seek medical attention if symptoms persist. In case of ingestion, do not induce vomiting and seek immediate medical advice. Always consult the safety data sheet and contact emergency services if serious exposure occurs.

How to dispose of 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 must be disposed of according to local and national hazardous waste regulations due to its toxicity and environmental hazard classification. Contact licensed waste disposal companies for proper handling and treatment. Do not discharge into drains, water courses, or soil due to its aquatic toxicity. Contaminated packaging should also be treated as hazardous waste. Maintain proper documentation of disposal activities and ensure compliance with applicable environmental regulations.

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 substances), Packing Group III for transportation purposes. This classification requires appropriate packaging, labeling, and documentation according to dangerous goods regulations. Vehicles must carry proper placards and emergency information. Drivers need hazardous materials training certification. Ensure packages are properly secured and marked with UN numbers and hazard labels. Comply with routing restrictions and quantity limitations as specified in transportation regulations.

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 evaluation within the EU, and CLP regulation for classification and labeling requirements. It carries GHS pictograms GHS07, GHS08, and GHS09 with a Warning signal word. The substance is not currently listed as SVHC under REACH. Depending on intended use, additional sector-specific regulations may apply, such as biocides or plant protection product regulations. Always verify current regulatory status and compliance requirements before use.

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 and intermediates. OYSI provides reliable supply chains and technical support for industrial customers across Europe. As a professional chemical distributor, OYSI ensures proper handling, documentation, and compliance with European regulations. Contact OYSI directly for availability, specifications, and pricing information. Alternative suppliers may exist, but verify their credentials and regulatory compliance before procurement.

Data Sources

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