N-(2,6-dichloro-3-methylphenyl)-5,7-dimethoxy-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide
C14H13Cl2N5O4S
Consulting for N-(2,6-dichloro-3-methylphenyl)-5,7-dimethoxy-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide
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Identification
- CAS Number
- 139528-85-1
- EC Number
- 604-145-6
- UN Number
- 3077
- Index Number
- 616-214-00-8
- PubChem CID
- 86422
Physical-chemical properties
- Molecular Formula
- C14H13Cl2N5O4S
- Molar Mass
- 418.30 g/mol
- IUPAC Name
- N-(2,6-dichloro-3-methylphenyl)-5,7-dimethoxy-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide
Chemical Identifiers
- InChI
- InChI=1S/C14H13Cl2N5O4S/c1-7-4-5-8(15)12(11(7)16)20-26(22,23)14-18-13-17-9(24-2)6-10(25-3)21(13)19-14/h4-6,20H,1-3H3
- InChI Key
- VGHPMIFEKOFHHQ-UHFFFAOYSA-N
Overview
N-(2,6-dichloro-3-methylphenyl)-5,7-dimethoxy-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide (CAS 139528-85-1) is a specialized triazolopyrimidine sulfonamide derivative with distinct heterocyclic structure and chlorinated aromatic functionality. This complex organic compound belongs to the triazolopyrimidine family, featuring a fused ring system containing nitrogen heterocycles coupled with a sulfonamide group. The molecular structure incorporates two chlorine atoms on a methylated phenyl ring, along with methoxy substituents on the triazolopyrimidine core, resulting in a molecular formula of C14H13Cl2N5O4S and molecular weight of 418.3 g/mol. The compound's unique structural arrangement provides specific chemical properties that make it valuable in various industrial applications. From a safety perspective, this substance requires careful handling due to its classification as a Category 2 carcinogen and Category 2 specific target organ toxicity compound following repeated exposure. The compound also presents significant environmental concerns, classified as acutely and chronically toxic to aquatic life. Transportation falls under ADR Class 9 miscellaneous dangerous goods, reflecting its specialized handling requirements. The GHS08 and GHS09 pictograms emphasize both health and environmental hazards. Industrial applications typically involve its use as an intermediate in pharmaceutical synthesis and specialty chemical manufacturing. The compound's structural complexity makes it particularly suitable for developing bioactive molecules and advanced material applications. Unlike simpler compounds such as 1,1-dimethyl-3-(4-propan-2-ylphenyl)urea, this triazolopyrimidine derivative offers enhanced specificity in targeted chemical reactions. As a trusted European distributor, OYSI maintains reliable supply chains for N-(2,6-dichloro-3-methylphenyl)-5,7-dimethoxy-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide, ensuring consistent availability for qualified industrial customers requiring this specialized chemical intermediate.
Safety & Classification
Carc. 2; STOT RE 2; Aquatic Acute 1; Aquatic Chronic 1
GHS Pictograms
HHazard Statements (H-Statements)
Describe the nature and severity of the hazard
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
Transport (ADR)
| UN Number | 3077 |
| ADR Class | 9 |
| Packing Group | III |
| Tunnel Code | - |
| Proper Shipping Name | Metosulam (ISO) |
| Marine Pollutant | No |
Frequently Asked Questions
What is N-(2,6-dichloro-3-methylphenyl)-5,7-dimethoxy-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide?
N-(2,6-dichloro-3-methylphenyl)-5,7-dimethoxy-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide is a complex organic compound with CAS number 139528-85-1 and molecular formula C14H13Cl2N5O4S. This triazolopyrimidine derivative has a molecular weight of 418.3 g/mol and contains chlorine substituents, methoxy groups, and a sulfonamide functional group. It is classified as a hazardous substance with potential carcinogenic properties and environmental toxicity concerns.
What are the physicochemical properties of N-(2,6-dichloro-3-methylphenyl)-5,7-dimethoxy-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide?
The compound is a solid organic substance with a molecular weight of 418.3 g/mol and contains multiple functional groups including dichlorophenyl, dimethoxy, triazolopyrimidine, and sulfonamide moieties. Its complex aromatic structure with electron-withdrawing chlorine atoms and electron-donating methoxy groups influences its chemical reactivity. The presence of nitrogen-containing heterocycles and sulfonamide functionality affects its solubility profile and stability characteristics.
What is N-(2,6-dichloro-3-methylphenyl)-5,7-dimethoxy-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide used for?
This specialized triazolopyrimidine derivative is primarily used in pharmaceutical research and development applications. Its complex molecular structure makes it valuable for medicinal chemistry studies, drug discovery programs, and as an intermediate in the synthesis of bioactive compounds. The sulfonamide moiety suggests potential applications in antimicrobial research, while the triazolopyrimidine core may be relevant for developing therapeutic agents targeting specific biological pathways.
How to handle N-(2,6-dichloro-3-methylphenyl)-5,7-dimethoxy-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide safely?
Safe handling requires appropriate personal protective equipment including chemical-resistant gloves, safety goggles, and laboratory coats due to its Carc. 2 and STOT RE 2 classifications. Work in well-ventilated areas or under fume hoods to minimize inhalation exposure. Avoid skin and eye contact, and prevent dust formation during handling. Use proper laboratory techniques, ensure adequate training for personnel, and maintain emergency procedures for accidental exposure incidents.
How to store N-(2,6-dichloro-3-methylphenyl)-5,7-dimethoxy-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide correctly?
Store the compound in tightly sealed containers in a cool, dry, well-ventilated area away from heat sources and direct sunlight. Due to its hazardous classification, use designated chemical storage areas with appropriate secondary containment. Keep away from incompatible materials such as strong oxidizers and bases. Maintain proper inventory records, ensure containers are properly labeled, and restrict access to authorized personnel only.
What to do in case of contact with N-(2,6-dichloro-3-methylphenyl)-5,7-dimethoxy-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide?
In case of skin contact, immediately remove contaminated clothing and wash affected area thoroughly with soap and water for at least 15 minutes. For eye contact, flush immediately with clean water for 15-20 minutes and remove contact lenses if present. If inhaled, move to fresh air immediately. For ingestion, do not induce vomiting and rinse mouth with water. Seek immediate medical attention in all cases and provide safety data sheet to medical personnel.
How to dispose of N-(2,6-dichloro-3-methylphenyl)-5,7-dimethoxy-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide properly?
Dispose of this hazardous substance through licensed waste disposal contractors specialized in chemical waste management. Due to its Carc. 2 classification and environmental hazard ratings (Aquatic Acute 1, Aquatic Chronic 1), it requires special handling as hazardous waste. Do not discharge to sewers, waterways, or soil. Collect waste in appropriate containers, label clearly, and maintain disposal records. Consult local environmental regulations and waste disposal authorities for specific requirements.
How to transport N-(2,6-dichloro-3-methylphenyl)-5,7-dimethoxy-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide?
Transport this substance as ADR Class 9 (Miscellaneous dangerous goods), Packing Group III material. Use appropriate packaging that meets UN specification requirements for Class 9 substances. Ensure proper documentation including transport documents, safety data sheets, and emergency response information. Vehicles must carry appropriate placards and emergency equipment. Transport personnel should be trained in dangerous goods handling procedures and emergency response protocols.
Is N-(2,6-dichloro-3-methylphenyl)-5,7-dimethoxy-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide subject to special regulations?
This compound is subject to various regulatory frameworks including REACH registration requirements in Europe and CLP classification for hazard communication. While not currently listed as SVHC, its Carc. 2 classification requires compliance with workplace exposure limits and risk assessment procedures. Environmental regulations apply due to its aquatic toxicity classifications. Users must ensure proper classification, labeling, safety data sheet provision, and worker protection measures according to applicable chemical safety legislation.
Where to buy N-(2,6-dichloro-3-methylphenyl)-5,7-dimethoxy-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide in Europe?
OYSI serves as a reliable European distributor for this specialized chemical compound, offering professional-grade quality for research and industrial applications. As an established chemical supplier, OYSI provides proper documentation, safety data sheets, and regulatory compliance support for European customers. Contact OYSI directly to inquire about availability, specifications, packaging options, and delivery arrangements for your specific research or industrial requirements.
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SDS Service
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Technical Consulting
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REACH Safety Data Sheet
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ADR Consulting for N-(2,6-dichloro-3-methylphenyl)-5,7-dimethoxy-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide
N-(2,6-dichloro-3-methylphenyl)-5,7-dimethoxy-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide is a dangerous good. We support you with labeling, packaging, and transport documentation.
Data Sources
Classification per CLP Regulation (EC) No 1272/2008. Data from ECHA and PubChem.