N-(5,7-dimethoxy-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2-methoxy-4-(trifluoromethyl)pyridine-3-sulfonamide

C14H13F3N6O5S

CAS422556-08-9
GHS07 Gefahrensymbol: Gesundheitsschädlich/Reizend – Ausrufezeichen
GHS09 Gefahrensymbol: Umweltgefährlich – Umwelt
Warning

Consulting for N-(5,7-dimethoxy-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2-methoxy-4-(trifluoromethyl)pyridine-3-sulfonamide

Our experts support you with application, dosage, and compliance.

Request Consultation

Identification

CAS Number
422556-08-9
EC Number
610-007-6
UN Number
3077
Index Number
613-327-00-4
PubChem CID
11571555

Physical-chemical properties

Molecular Formula
C14H13F3N6O5S
Molar Mass
434.35 g/mol
IUPAC Name
N-(5,7-dimethoxy-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2-methoxy-4-(trifluoromethyl)pyridine-3-sulfonamide

Chemical Identifiers

InChI
InChI=1S/C14H13F3N6O5S/c1-26-8-6-9(27-2)23-13(19-8)20-12(21-23)22-29(24,25)10-7(14(15,16)17)4-5-18-11(10)28-3/h4-6H,1-3H3,(H,21,22)
InChI Key
GLBLPMUBLHYFCW-UHFFFAOYSA-N

Overview

N-(5,7-dimethoxy-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2-methoxy-4-(trifluoromethyl)pyridine-3-sulfonamide (CAS 422556-08-9) is a heterocyclic sulfonamide compound with triazolopyrimidine and trifluoromethylpyridine structural features. This complex heterocyclic compound represents an advanced synthetic molecule combining multiple pharmacologically relevant structural motifs. With a molecular formula of C14H13F3N6O5S and molecular weight of 434.35 g/mol, this substance incorporates a triazolo[1,5-a]pyrimidine core system linked through a sulfonamide bridge to a methoxy-substituted trifluoromethylpyridine moiety. The presence of trifluoromethyl groups typically enhances metabolic stability and bioavailability, while the dimethoxy substitutions on the triazolopyrimidine ring system contribute to the compound's unique chemical properties. The compound exhibits skin sensitization potential and poses environmental hazards to aquatic life, requiring appropriate handling precautions as indicated by GHS07 and GHS09 pictograms with a Warning signal word. Its ADR Class 9 classification designates it as a miscellaneous dangerous substance for transport purposes. Like other heterocyclic compounds such as 4-cyclopropyl-6-methyl-N-phenylpyrimidin-2-amine, this molecule demonstrates the structural complexity typical of modern pharmaceutical intermediates. Primary industrial applications include pharmaceutical research and development, particularly in medicinal chemistry programs targeting specific biological pathways. The compound also serves as a valuable synthetic intermediate in agrochemical development and as a reference standard in analytical chemistry applications. Its unique structural features make it particularly useful in structure-activity relationship studies. OYSI maintains reliable supply chains for this specialized heterocyclic sulfonamide compound, supporting European chemical industry requirements with comprehensive technical documentation and regulatory compliance support.

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 NamePyroxsulam (ISO)
Marine PollutantNo

Frequently Asked Questions

What is N-(5,7-dimethoxy-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2-methoxy-4-(trifluoromethyl)pyridine-3-sulfonamide?

N-(5,7-dimethoxy-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2-methoxy-4-(trifluoromethyl)pyridine-3-sulfonamide is a complex organic compound with the molecular formula C14H13F3N6O5S and a molecular weight of 434.35 g/mol. This chemical belongs to the sulfonamide family and contains both triazolopyrimidine and pyridine moieties. It is classified as a hazardous substance due to its skin sensitizing properties and aquatic toxicity, requiring careful handling in industrial applications.

What are the physicochemical properties of N-(5,7-dimethoxy-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2-methoxy-4-(trifluoromethyl)pyridine-3-sulfonamide?

This compound is a solid with a molecular weight of 434.35 g/mol and contains multiple functional groups including methoxy, trifluoromethyl, and sulfonamide groups. The presence of fluorine atoms and aromatic rings influences its stability and solubility characteristics. Specific physical properties such as melting point, boiling point, and exact solubility data would require detailed analytical characterization. The trifluoromethyl group typically confers chemical stability and affects the compound's lipophilicity.

What is N-(5,7-dimethoxy-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2-methoxy-4-(trifluoromethyl)pyridine-3-sulfonamide used for?

This compound is primarily used in research and development applications, particularly in pharmaceutical and agrochemical industries. Its complex structure containing triazolopyrimidine and sulfonamide moieties suggests potential applications in drug discovery, agricultural research, or as an intermediate in specialized chemical synthesis. The specific trifluoromethyl substitution pattern makes it valuable for studies requiring fluorinated organic compounds. Industrial applications are typically limited to specialized manufacturing processes under controlled conditions.

How to safely handle N-(5,7-dimethoxy-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2-methoxy-4-(trifluoromethyl)pyridine-3-sulfonamide?

Safe handling requires appropriate personal protective equipment including chemical-resistant gloves, safety goggles, and protective clothing to prevent skin contact, as the compound is classified as Skin Sens. 1. Work in well-ventilated areas or under fume extraction systems. Avoid direct contact with skin and eyes, and prevent inhalation of dust or vapors. Use proper laboratory techniques and ensure personnel are trained in chemical safety protocols. Emergency shower and eyewash facilities should be readily accessible in work areas.

How to properly store N-(5,7-dimethoxy-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2-methoxy-4-(trifluoromethyl)pyridine-3-sulfonamide?

Store this compound in a cool, dry, well-ventilated area away from heat sources and direct sunlight. Use tightly sealed containers to prevent moisture absorption and contamination. Given its aquatic toxicity classification, ensure storage areas have appropriate containment measures to prevent environmental release. Keep away from incompatible materials and store according to local regulations for hazardous chemicals. Maintain proper inventory records and ensure containers are properly labeled with hazard information.

What to do in case of contact with N-(5,7-dimethoxy-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2-methoxy-4-(trifluoromethyl)pyridine-3-sulfonamide?

In case of skin contact, immediately remove contaminated clothing and wash the affected area thoroughly with soap and water for at least 15 minutes, as this compound is a skin sensitizer. For eye contact, rinse immediately with clean water for at least 15 minutes and seek medical attention. If inhaled, move the person to fresh air and seek medical advice if symptoms persist. In case of ingestion, do not induce vomiting and seek immediate medical attention. Always consult the safety data sheet for complete first aid procedures.

How to properly dispose of N-(5,7-dimethoxy-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2-methoxy-4-(trifluoromethyl)pyridine-3-sulfonamide?

Disposal must be conducted according to local and national hazardous waste regulations due to its environmental toxicity classification (Aquatic Acute 1, Aquatic Chronic 1). Contact licensed hazardous waste disposal companies for proper treatment and disposal. Do not discharge to sewers, waterways, or soil. Small laboratory quantities may require special collection procedures, while larger amounts need professional hazardous waste management. Maintain disposal records as required by environmental regulations and consult local authorities for specific requirements.

How to transport N-(5,7-dimethoxy-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2-methoxy-4-(trifluoromethyl)pyridine-3-sulfonamide?

This compound is classified as ADR Class 9 (Miscellaneous dangerous substances), Packing Group III for transport purposes. Use appropriate packaging that meets UN specification requirements for Class 9 materials. Ensure proper labeling with hazard diamonds and shipping documentation including the correct shipping name and UN number. Transport vehicles should carry appropriate emergency response information. Drivers must have proper training for hazardous materials transport, and shipments must comply with ADR regulations for road transport within Europe.

Is N-(5,7-dimethoxy-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2-methoxy-4-(trifluoromethyl)pyridine-3-sulfonamide subject to specific regulations?

This compound is subject to CLP regulation for classification and labeling, requiring GHS07 and GHS09 pictograms with 'Warning' signal word. It must comply with REACH regulation for registration and authorization in the EU. While not currently listed as an SVHC, its skin sensitizing and aquatic toxicity properties require compliance with relevant chemical safety assessments. Users must follow occupational exposure limits where established and implement appropriate risk management measures. Export/import may require additional notifications depending on destination countries.

Where to buy N-(5,7-dimethoxy-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2-methoxy-4-(trifluoromethyl)pyridine-3-sulfonamide in Europe?

OYSI serves as a reliable European distributor for this specialized chemical compound, offering professional-grade materials with proper documentation and regulatory compliance. As an established chemical distributor, OYSI provides comprehensive support including safety data sheets, certificates of analysis, and regulatory guidance. Contact OYSI directly for availability, specifications, and technical support. Given the compound's specialized nature and regulatory requirements, working with experienced distributors like OYSI ensures proper handling, documentation, and compliance with European chemical regulations.

Services for N-(5,7-dimethoxy-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2-methoxy-4-(trifluoromethyl)pyridine-3-sulfonamide

ADR Consulting for N-(5,7-dimethoxy-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2-methoxy-4-(trifluoromethyl)pyridine-3-sulfonamide

N-(5,7-dimethoxy-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2-methoxy-4-(trifluoromethyl)pyridine-3-sulfonamide is a dangerous good. We support you with labeling, packaging, and transport documentation.

Request ADR Advice

Data Sources

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