Ethyl 1-(2,4-dichlorophenyl)-5-(trichloromethyl)-1,2,4-triazole-3-carboxylate

C12H8Cl5N3O2

ethyl 1-(2,4-dichlorophenyl)-5-(trichloromethyl)-1,2,4-triazole-3-carboxylate

CAS103112-35-2
GHS08 Gefahrensymbol: Gesundheitsgefahr – Gesundheitsgefahr
GHS09 Gefahrensymbol: Umweltgefährlich – Umwelt
Danger

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Identification

CAS Number
103112-35-2
EC Number
401-290-5
UN Number
3077
Index Number
607-626-00-9
PubChem CID
3033865

Physical-chemical properties

Molecular Formula
C12H8Cl5N3O2
Molar Mass
403.50 g/mol
IUPAC Name
ethyl 1-(2,4-dichlorophenyl)-5-(trichloromethyl)-1,2,4-triazole-3-carboxylate

Chemical Identifiers

InChI
InChI=1S/C12H8Cl5N3O2/c1-2-22-10(21)9-18-11(12(15,16)17)20(19-9)8-4-3-6(13)5-7(8)14/h3-5H,2H2,1H3
InChI Key
GMBRUAIJEFRHFQ-UHFFFAOYSA-N

Overview

Ethyl 1-(2,4-dichlorophenyl)-5-(trichloromethyl)-1,2,4-triazole-3-carboxylate (CAS 103112-35-2) is a halogenated triazole compound with significant carcinogenic properties and high aquatic toxicity. This specialized chemical compound represents a complex organochlorine structure featuring multiple chlorine substituents on both the phenyl ring and triazole moiety. With a molecular formula of C12H8Cl5N3O2 and molecular weight of 403.5 g/mol, this substance belongs to the triazole carboxylate family, which are known for their biological activity and environmental persistence. The compound's structure incorporates a 1,2,4-triazole core functionalized with a dichlorophenyl group and a trichloromethyl substituent, creating a highly chlorinated molecule with distinct chemical properties. The substance is classified under EC number 401-290-5 and carries significant safety concerns due to its Category 1B carcinogenic classification. The presence of GHS08 and GHS09 pictograms indicates both serious health hazards and environmental dangers, particularly acute and chronic aquatic toxicity. Its ADR Class 9 classification designates it as a miscellaneous dangerous substance requiring careful handling protocols during transport and storage. Unlike simpler aromatic compounds such as benzo[e]pyrene or benzo[k]fluoranthene, this triazole derivative presents unique challenges due to its multiple halogen substituents, which contribute to its persistence and bioaccumulation potential. The compound finds applications in specialized chemical synthesis, pharmaceutical intermediate production, and advanced materials research where its unique electronic properties are valued. Industrial applications include use as a building block in agrochemical development, specialty polymer synthesis, and as a research chemical for developing new triazole-based compounds with enhanced biological activity. OYSI provides this specialized compound to qualified industrial customers requiring high-purity organochlorine intermediates for technical applications.

Safety & Classification

Danger
Classification:

Carc. 1B; Aquatic Acute 1; Aquatic Chronic 1

HHazard Statements (H-Statements)

Describe the nature and severity of the hazard

H350

May cause cancer.

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 NameFenchlorazol-ethyl (ISO)
Marine PollutantNo

Frequently Asked Questions

What is ethyl 1-(2,4-dichlorophenyl)-5-(trichloromethyl)-1,2,4-triazole-3-carboxylate?

Ethyl 1-(2,4-dichlorophenyl)-5-(trichloromethyl)-1,2,4-triazole-3-carboxylate is a synthetic organochlorine compound with the molecular formula C12H8Cl5N3O2. This triazole derivative has a molecular weight of 403.5 g/mol and is characterized by multiple chlorine substituents on both the phenyl ring and triazole structure. It belongs to the carcinogenic category 1B substances and poses significant environmental hazards to aquatic ecosystems.

What are the physicochemical properties of ethyl 1-(2,4-dichlorophenyl)-5-(trichloromethyl)-1,2,4-triazole-3-carboxylate?

Ethyl 1-(2,4-dichlorophenyl)-5-(trichloromethyl)-1,2,4-triazole-3-carboxylate is a solid compound at room temperature with high chlorine content contributing to its stability and lipophilicity. The presence of multiple chlorine atoms and the triazole ring system influences its solubility characteristics, typically showing limited water solubility but better solubility in organic solvents. Its physical appearance and specific properties should be confirmed through supplier documentation.

What is ethyl 1-(2,4-dichlorophenyl)-5-(trichloromethyl)-1,2,4-triazole-3-carboxylate used for?

Ethyl 1-(2,4-dichlorophenyl)-5-(trichloromethyl)-1,2,4-triazole-3-carboxylate is primarily used as an intermediate in pharmaceutical and agrochemical synthesis. Its triazole structure makes it valuable for developing antifungal compounds and other bioactive molecules. The compound serves as a building block in organic synthesis, particularly in research and development applications where specific chlorinated triazole derivatives are required for advanced chemical transformations.

How to handle ethyl 1-(2,4-dichlorophenyl)-5-(trichloromethyl)-1,2,4-triazole-3-carboxylate safely?

Safe handling requires comprehensive personal protective equipment including chemical-resistant gloves, safety goggles, and respiratory protection due to its carcinogenic classification. Work must be conducted in well-ventilated areas or under fume extraction systems to prevent inhalation exposure. Avoid skin contact and ingestion, as the compound poses significant health risks. All personnel should be trained on carcinogenic substance handling procedures and emergency response protocols before working with this material.

How to store ethyl 1-(2,4-dichlorophenyl)-5-(trichloromethyl)-1,2,4-triazole-3-carboxylate correctly?

Storage requires a cool, dry, well-ventilated area away from heat sources and incompatible materials. The compound should be kept in tightly sealed original containers to prevent contamination and exposure. Due to its carcinogenic properties, storage areas must be clearly labeled and access restricted to authorized personnel only. Separate storage from food, feed, and oxidizing agents is essential to prevent cross-contamination and potential reactions.

What to do in case of contact with ethyl 1-(2,4-dichlorophenyl)-5-(trichloromethyl)-1,2,4-triazole-3-carboxylate?

Immediate skin contact requires thorough washing with soap and water for at least 15 minutes while removing contaminated clothing. Eye contact necessitates immediate irrigation with clean water for 15 minutes and immediate medical attention. If inhaled, move the person to fresh air and seek medical care. Ingestion requires immediate medical attention without inducing vomiting. Always contact poison control or emergency medical services when exposure occurs due to carcinogenic risks.

How to dispose of ethyl 1-(2,4-dichlorophenyl)-5-(trichloromethyl)-1,2,4-triazole-3-carboxylate appropriately?

Disposal must comply with local and national hazardous waste regulations due to its carcinogenic and environmental hazard classifications. The compound requires treatment as hazardous waste and should never be disposed of in regular trash or sewage systems. Contact licensed hazardous waste disposal companies for proper collection and destruction, typically involving high-temperature incineration in approved facilities. Maintain detailed disposal documentation for regulatory compliance.

How to transport ethyl 1-(2,4-dichlorophenyl)-5-(trichloromethyl)-1,2,4-triazole-3-carboxylate?

Transportation follows ADR Class 9 regulations as a miscellaneous dangerous substance with Packing Group III classification. Proper packaging, labeling, and documentation according to dangerous goods regulations are mandatory. Vehicles must display appropriate hazard placards and drivers require dangerous goods training certification. Shipments must include safety data sheets and emergency response information. Professional logistics providers experienced with hazardous chemicals should handle transportation to ensure regulatory compliance.

Is ethyl 1-(2,4-dichlorophenyl)-5-(trichloromethyl)-1,2,4-triazole-3-carboxylate subject to specific regulations?

The compound falls under strict regulatory oversight due to its Carc. 1B classification under CLP regulation, requiring specific labeling with GHS08 and GHS09 pictograms. REACH registration requirements apply for commercial use in Europe. While not currently listed as an SVHC, its carcinogenic properties subject it to stringent occupational exposure limits and workplace safety regulations. Users must comply with national chemical safety legislation and maintain appropriate risk assessments.

Where to buy ethyl 1-(2,4-dichlorophenyl)-5-(trichloromethyl)-1,2,4-triazole-3-carboxylate in Europe?

OYSI serves as a reliable European distributor for ethyl 1-(2,4-dichlorophenyl)-5-(trichloromethyl)-1,2,4-triazole-3-carboxylate, providing compliant chemical supply with proper documentation and safety data sheets. As a specialized chemical distributor, OYSI ensures regulatory compliance and proper handling throughout the supply chain. Contact OYSI directly for availability, technical specifications, and pricing information. Professional chemical suppliers like OYSI maintain the expertise necessary for safely distributing carcinogenic substances.

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Ethyl 1-(2,4-dichlorophenyl)-5-(trichloromethyl)-1,2,4-triazole-3-carboxylate 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.