1-[4-methoxy-6-(trifluoromethyl)-1,3,5-triazin-2-yl]-3-[2-(trifluoromethyl)phenyl]sulfonylurea

C13H9F6N5O4S

CAS142469-14-5
GHS07 Gefahrensymbol: Gesundheitsschädlich/Reizend – Ausrufezeichen
GHS09 Gefahrensymbol: Umweltgefährlich – Umwelt
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Identification

CAS Number
142469-14-5
UN Number
3077
Index Number
613-271-00-0
PubChem CID
11657899

Physical-chemical properties

Molecular Formula
C13H9F6N5O4S
Molar Mass
445.30 g/mol
IUPAC Name
1-[4-methoxy-6-(trifluoromethyl)-1,3,5-triazin-2-yl]-3-[2-(trifluoromethyl)phenyl]sulfonylurea

Chemical Identifiers

InChI
InChI=1S/C13H9F6N5O4S/c1-28-11-21-8(13(17,18)19)20-9(23-11)22-10(25)24-29(26,27)7-5-3-2-4-6(7)12(14,15)16/h2-5H,1H3,(H2,20,21,22,23,24,25)
InChI Key
KVEQCVKVIFQSGC-UHFFFAOYSA-N

Overview

1-[4-methoxy-6-(trifluoromethyl)-1,3,5-triazin-2-yl]-3-[2-(trifluoromethyl)phenyl]sulfonylurea (CAS 142469-14-5) is a specialized sulfonylurea derivative featuring dual trifluoromethyl groups and triazine functionality for advanced chemical applications. This highly specialized organic compound represents a sophisticated example of modern synthetic chemistry, combining multiple functional groups including triazine, sulfonylurea, and trifluoromethyl moieties within a single molecular framework. With its molecular formula C13H9F6N5O4S and molecular weight of 445.3 g/mol, this compound demonstrates the complexity achievable in contemporary chemical synthesis. The presence of six fluorine atoms distributed across two trifluoromethyl groups contributes significantly to its unique chemical properties and potential applications. The compound exhibits notable safety considerations, classified as a skin sensitizer (Skin Sens. 1) and presenting aquatic toxicity concerns (Aquatic Acute 1; Aquatic Chronic 1). These classifications necessitate appropriate handling procedures and environmental protection measures during industrial use. The GHS07 and GHS09 pictograms indicate both health hazards and environmental dangers, while the ADR Class 9 classification identifies it as a miscellaneous dangerous substance for transportation purposes. Industrial applications for this compound typically focus on specialized pharmaceutical intermediates, advanced materials research, and custom synthesis projects where its unique combination of triazine and sulfonylurea functionalities provides specific reactivity profiles. Unlike simpler compounds such as 4-cyclopropyl-6-methyl-N-phenylpyrimidin-2-amine, this molecule's complex structure enables highly specialized applications in research and development environments. OYSI maintains this specialized chemical compound in its European distribution network, ensuring reliable access for qualified industrial customers requiring this advanced synthetic intermediate for their technical applications.

Safety & Classification

Warning
Classification:

Skin Sens. 1; Aquatic Acute 1; Aquatic Chronic 1

HHazard Statements (H-Statements)

Describe the nature and severity of the hazard

H317

May cause an allergic skin reaction.

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

Skin Contact

Irritant

Measures if substance contacts the skin

First Aid Actions

  • +P302IF ON SKIN:
  • +P352Wash with plenty of water.
  • +P361Take off immediately all contaminated clothing.
  • +P313Get medical advice/attention.

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 NameTritosulfuron (ISO), (enthält <= 0,02 % AMTT)
Marine PollutantNo

Frequently Asked Questions

What is 1-[4-methoxy-6-(trifluoromethyl)-1,3,5-triazin-2-yl]-3-[2-(trifluoromethyl)phenyl]sulfonylurea?

1-[4-methoxy-6-(trifluoromethyl)-1,3,5-triazin-2-yl]-3-[2-(trifluoromethyl)phenyl]sulfonylurea is a complex organic compound with CAS number 142469-14-5 and molecular formula C13H9F6N5O4S. This sulfonylurea derivative contains triazine and phenyl groups with multiple trifluoromethyl substituents, giving it a molecular weight of 445.3 g/mol. The compound is classified as a skin sensitizer with acute and chronic aquatic toxicity properties.

What are the physicochemical properties of 1-[4-methoxy-6-(trifluoromethyl)-1,3,5-triazin-2-yl]-3-[2-(trifluoromethyl)phenyl]sulfonylurea?

This compound is a solid chemical substance with high molecular complexity due to its fluorinated structure. The presence of six fluorine atoms and multiple aromatic systems influences its physicochemical behavior. The trifluoromethyl groups typically impart lipophilic characteristics while potentially affecting solubility patterns. Specific physical properties such as melting point, color, and exact solubility parameters would require detailed analytical characterization for precise determination.

What is 1-[4-methoxy-6-(trifluoromethyl)-1,3,5-triazin-2-yl]-3-[2-(trifluoromethyl)phenyl]sulfonylurea used for?

This compound is primarily used in specialized chemical applications requiring its unique molecular structure. Sulfonylurea derivatives are commonly employed in pharmaceutical research, agricultural chemistry, and specialty chemical synthesis. The specific triazine-phenyl structure with fluorinated substituents makes it valuable for research and development purposes, particularly in applications where fluorinated organic compounds provide enhanced stability or specific biological activity.

How to safely handle 1-[4-methoxy-6-(trifluoromethyl)-1,3,5-triazin-2-yl]-3-[2-(trifluoromethyl)phenyl]sulfonylurea?

Safe handling requires appropriate personal protective equipment due to its skin sensitization properties (Skin Sens. 1). Wear chemical-resistant gloves, safety goggles, and protective clothing to prevent skin contact. Work in well-ventilated areas or under fume hoods. Avoid generating dust or aerosols. Wash hands thoroughly after handling and before eating or drinking. Personnel should be trained on the hazards associated with skin sensitizers.

How to properly store 1-[4-methoxy-6-(trifluoromethyl)-1,3,5-triazin-2-yl]-3-[2-(trifluoromethyl)phenyl]sulfonylurea?

Store this compound in tightly sealed containers in a cool, dry, well-ventilated area away from incompatible materials. Keep containers protected from physical damage and moisture. Due to its aquatic toxicity classification, ensure storage areas have appropriate containment measures to prevent environmental release. Store away from heat sources and oxidizing agents. Follow local regulations for chemical storage and maintain proper labeling with hazard warnings.

What to do in case of contact with 1-[4-methoxy-6-(trifluoromethyl)-1,3,5-triazin-2-yl]-3-[2-(trifluoromethyl)phenyl]sulfonylurea?

In case of skin contact, immediately remove contaminated clothing and wash affected areas thoroughly with soap and water for at least 15 minutes. For eye contact, flush with clean water for 15 minutes while holding eyelids open. If inhaled, move to fresh air immediately. Do not induce vomiting if swallowed. Seek immediate medical attention in all cases, especially given the skin sensitization potential. Provide the safety data sheet to medical personnel.

How to properly dispose of 1-[4-methoxy-6-(trifluoromethyl)-1,3,5-triazin-2-yl]-3-[2-(trifluoromethyl)phenyl]sulfonylurea?

Disposal must comply with local and national environmental regulations due to its aquatic toxicity classification (Aquatic Acute 1, Aquatic Chronic 1). Contact licensed waste disposal companies specialized in hazardous chemical waste. Do not discharge to sewers, waterways, or soil. Small quantities should be collected in appropriate containers and labeled for hazardous waste pickup. Incineration at authorized facilities may be suitable following regulatory requirements.

How to transport 1-[4-methoxy-6-(trifluoromethyl)-1,3,5-triazin-2-yl]-3-[2-(trifluoromethyl)phenyl]sulfonylurea?

This compound is classified under ADR Class 9 (Miscellaneous dangerous goods), Packing Group III for transportation. Use appropriate UN specification packaging suitable for Class 9 materials. Ensure packages are properly labeled with hazard markings and shipping names. Transport vehicles must comply with ADR requirements for Class 9 substances. Shipping documentation must include proper shipping names, hazard class, and packing group information according to dangerous goods regulations.

Is 1-[4-methoxy-6-(trifluoromethyl)-1,3,5-triazin-2-yl]-3-[2-(trifluoromethyl)phenyl]sulfonylurea subject to specific regulations?

This compound is subject to REACH regulation requiring registration for manufacture or import above threshold quantities in the EU. It falls under CLP regulation for classification, labeling, and packaging with assigned pictogrammes GHS07 and GHS09. The substance is not currently identified as SVHC (Substance of Very High Concern). Handlers must comply with workplace safety regulations and environmental protection measures due to its hazard classifications.

Where to buy 1-[4-methoxy-6-(trifluoromethyl)-1,3,5-triazin-2-yl]-3-[2-(trifluoromethyl)phenyl]sulfonylurea in Europe?

OYSI, as a European distributor of specialty chemicals, can provide this compound to qualified customers across Europe. Contact OYSI's technical sales team for availability, packaging options, and regulatory compliance documentation. All shipments include proper safety data sheets and comply with European chemical regulations. OYSI ensures proper handling, storage, and transportation of hazardous materials according to ADR and other applicable regulations for professional customers.

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1-[4-methoxy-6-(trifluoromethyl)-1,3,5-triazin-2-yl]-3-[2-(trifluoromethyl)phenyl]sulfonylurea is a dangerous good. We support you with labeling, packaging, and transport documentation.

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Data Sources

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