N-(2,6-dichloro-3-methylphenyl)-5,7-dimethoxy-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide

C14H13Cl2N5O4S

CAS139528-85-1
GHS08 Gefahrensymbol: Gesundheitsgefahr – Gesundheitsgefahr
GHS09 Gefahrensymbol: Umweltgefährlich – Umwelt
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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 compound with distinct heterocyclic properties and selective biological activity. This complex organic molecule belongs to the triazolopyrimidine family, featuring a unique fused ring system that combines triazole and pyrimidine moieties with a sulfonamide functional group. With its molecular formula C14H13Cl2N5O4S and molecular weight of 418.3 g/mol, this compound exhibits distinctive chemical characteristics due to its dichloromethylphenyl substituent and dimethoxy substitution pattern. The presence of multiple nitrogen atoms within the heterocyclic framework, combined with the electron-withdrawing chlorine atoms, contributes to its specific reactivity profile and stability under controlled conditions. The substance requires careful handling protocols due to its hazard classification as a Category 2 carcinogen and specific target organ toxicant. The GHS08 and GHS09 pictograms indicate both health and environmental hazards, necessitating appropriate personal protective equipment and containment measures during processing. Its classification under ADR Class 9 reflects its status as a miscellaneous dangerous substance requiring specialized transport conditions. In industrial applications, this triazolopyrimidine derivative finds primary use as an intermediate in pharmaceutical synthesis and as a specialized reagent in agrochemical research. Unlike simpler compounds such as 1,1-dimethyl-3-(4-propan-2-ylphenyl)urea, its complex structure enables highly selective interactions in biological systems. The compound also serves as a valuable building block for developing novel heterocyclic compounds in materials science applications. OYSI maintains strategic inventory of N-(2,6-dichloro-3-methylphenyl)-5,7-dimethoxy-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide to support specialized research and industrial synthesis requirements across European markets.

Safety & Classification

Warning
Classification:

Carc. 2; STOT RE 2; Aquatic Acute 1; Aquatic Chronic 1

HHazard Statements (H-Statements)

Describe the nature and severity of the hazard

H351

Suspected of causing cancer.

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

Transport (ADR)

UN Number3077
ADR Class9
Packing GroupIII
Tunnel Code-
Proper Shipping NameMetosulam (ISO)
Marine PollutantNo

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 the molecular formula C14H13Cl2N5O4S and molecular weight of 418.3 g/mol. This chemical belongs to the triazolopyrimidine family and contains both sulfonamide and chlorinated aromatic functionalities. It is classified as a potentially carcinogenic substance (Category 2) and poses environmental hazards to aquatic life.

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?

This compound is a solid organic substance with a molecular weight of 418.3 g/mol and the molecular formula C14H13Cl2N5O4S. It contains two chlorine atoms, multiple nitrogen atoms in its triazolopyrimidine ring system, and methoxy substituents. The presence of both polar (sulfonamide, methoxy) and nonpolar (chlorinated aromatic) groups suggests moderate polarity. Specific physical properties like melting point and solubility depend on purity and measurement conditions.

What is N-(2,6-dichloro-3-methylphenyl)-5,7-dimethoxy-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide used for?

This compound is typically used as an intermediate in pharmaceutical or agrochemical synthesis due to its complex heterocyclic structure containing triazolopyrimidine and sulfonamide functionalities. Its specific applications depend on its biological activity profile. The presence of chlorinated aromatic and methoxy groups suggests potential use in developing bioactive compounds. However, its classification as potentially carcinogenic limits its applications to controlled industrial and research environments.

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 respiratory protection due to its Carc. 2 classification. Work should be conducted in well-ventilated areas or under fume hoods to prevent inhalation exposure. Avoid skin and eye contact, and prevent dust formation. Use proper engineering controls and follow good laboratory practices. Personnel should be trained on the specific hazards associated with potentially carcinogenic materials.

How to store N-(2,6-dichloro-3-methylphenyl)-5,7-dimethoxy-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide correctly?

Store this compound in a cool, dry, well-ventilated area away from incompatible materials and ignition sources. Keep containers tightly closed and properly labeled with hazard information. Due to its potentially carcinogenic nature, storage should be in designated areas with restricted access. Avoid exposure to moisture, extreme temperatures, and direct sunlight. Implement appropriate containment measures to prevent environmental release, considering its aquatic toxicity classification.

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?

Immediate action is required for any exposure due to potential carcinogenic properties. For skin contact, remove contaminated clothing and wash affected area thoroughly with soap and water. In case of eye contact, flush immediately with clean water for at least 15 minutes. If inhaled, move to fresh air and seek medical attention. For ingestion, do not induce vomiting and seek immediate medical care. Always consult a physician and provide the safety data sheet.

How to dispose of N-(2,6-dichloro-3-methylphenyl)-5,7-dimethoxy-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide properly?

Disposal must comply with local, national, and international regulations for potentially carcinogenic and environmentally hazardous substances. The compound requires treatment as hazardous waste due to its Carc. 2 and aquatic toxicity classifications. Contact licensed hazardous waste disposal companies for proper treatment, which typically involves high-temperature incineration in approved facilities. Never dispose of in regular trash, sewers, or waterways. Maintain disposal records as required by regulations.

How to transport N-(2,6-dichloro-3-methylphenyl)-5,7-dimethoxy-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide?

Transportation follows ADR Class 9 (Miscellaneous dangerous goods), Packing Group III regulations. Packages must be properly labeled with UN identification numbers and hazard labels including GHS08 and GHS09 pictograms. Use appropriate packaging that meets UN specification requirements for Class 9 substances. Transport documentation must include proper shipping names and emergency response information. Ensure compliance with international transport regulations for hazardous materials including IMDG for sea transport and IATA for air transport.

Is N-(2,6-dichloro-3-methylphenyl)-5,7-dimethoxy-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide subject to specific regulations?

This compound is subject to multiple regulatory frameworks including REACH registration requirements in Europe and CLP classification regulations. It carries mandatory hazard classifications (Carc. 2, STOT RE 2, Aquatic Acute 1, Aquatic Chronic 1) requiring specific labeling with Warning signal word and GHS08/GHS09 pictograms. While not currently listed as SVHC, its carcinogenic potential may trigger additional restrictions. Users must comply with occupational exposure limits and environmental protection requirements.

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 N-(2,6-dichloro-3-methylphenyl)-5,7-dimethoxy-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide, providing technical expertise and regulatory compliance support. As specialists in chemical distribution, OYSI ensures proper handling, documentation, and delivery throughout Europe. Contact OYSI directly for availability, technical specifications, and regulatory information. All shipments comply with European transport regulations and include complete safety documentation required for this classified substance.

Services for N-(2,6-dichloro-3-methylphenyl)-5,7-dimethoxy-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide

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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.

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Data Sources

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