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
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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 an organochlorine triazole compound with significant industrial applications and notable safety considerations. This highly chlorinated organic compound, with the molecular formula C12H8Cl5N3O2 and molecular weight of 403.5 g/mol, belongs to the triazole family of chemicals. The molecule features a complex structure incorporating both a dichlorophenyl ring and a trichloromethyl group attached to a central triazole core, along with an ethyl carboxylate functional group. This structural arrangement contributes to its distinctive chemical properties and industrial utility. The compound is classified under serious hazard categories, including Carcinogenic 1B and Aquatic Acute/Chronic toxicity Category 1, requiring careful handling protocols and appropriate safety measures. The GHS08 and GHS09 pictograms indicate both health hazards and environmental dangers, while its ADR Class 9 classification designates it as a miscellaneous dangerous substance for transport purposes. From a safety perspective, this compound demands rigorous handling procedures due to its carcinogenic properties and severe environmental impact on aquatic ecosystems. Unlike some related aromatic compounds such as benzo[e]pyrene or benzo[k]fluoranthene, which are primarily environmental contaminants, this triazole derivative finds active industrial applications. Primary industrial applications include use as an intermediate in pharmaceutical synthesis, specialized chemical manufacturing processes, and research applications requiring specific triazole functionality. The compound's unique structural features make it valuable in developing advanced materials and specialty chemical formulations. OYSI maintains reliable supply chains for ethyl 1-(2,4-dichlorophenyl)-5-(trichloromethyl)-1,2,4-triazole-3-carboxylate, ensuring consistent availability for qualified industrial customers across European markets.
Safety & Classification
Carc. 1B; 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 | Fenchlorazol-ethyl (ISO) |
| Marine Pollutant | No |
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 an organochlorine compound with the molecular formula C12H8Cl5N3O2 and CAS number 103112-35-2. This triazole derivative has a molecular weight of 403.5 g/mol and contains multiple chlorine atoms in its structure. It is classified as a Category 1B carcinogen and poses significant environmental hazards to aquatic life.
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 with high chlorine content due to its five chlorine atoms. As a heavily halogenated organic molecule with molecular weight 403.5 g/mol, it likely exhibits low water solubility and high lipophilicity. The presence of multiple chlorine substituents and the triazole ring system contribute to its chemical stability and persistence.
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 chemical synthesis and research applications. Its triazole structure makes it valuable for pharmaceutical research and agrochemical development. The compound may serve as a building block for developing fungicides, pharmaceuticals, or other bioactive molecules. Industrial applications are typically limited to specialized chemical manufacturing and laboratory research due to its hazardous properties.
How to handle ethyl 1-(2,4-dichlorophenyl)-5-(trichloromethyl)-1,2,4-triazole-3-carboxylate safely?
Ethyl 1-(2,4-dichlorophenyl)-5-(trichloromethyl)-1,2,4-triazole-3-carboxylate requires strict safety measures due to its carcinogenic properties. Personnel must wear appropriate PPE including nitrile gloves, safety goggles, and respiratory protection. Work should be conducted in well-ventilated areas or under fume hoods. Avoid skin contact, inhalation, and ingestion. Use non-sparking tools and ensure proper grounding. Emergency eyewash and safety shower facilities must be readily available.
How to store ethyl 1-(2,4-dichlorophenyl)-5-(trichloromethyl)-1,2,4-triazole-3-carboxylate correctly?
Ethyl 1-(2,4-dichlorophenyl)-5-(trichloromethyl)-1,2,4-triazole-3-carboxylate must be stored in a cool, dry, well-ventilated area away from heat sources and direct sunlight. Use tightly sealed containers to prevent moisture absorption and contamination. Store separately from incompatible materials such as strong oxidizers, bases, and reducing agents. Ensure storage areas have appropriate spill containment and are clearly labeled with hazard warnings. Access should be restricted to authorized personnel only.
What to do in case of contact with ethyl 1-(2,4-dichlorophenyl)-5-(trichloromethyl)-1,2,4-triazole-3-carboxylate?
Immediate action is required for any contact with ethyl 1-(2,4-dichlorophenyl)-5-(trichloromethyl)-1,2,4-triazole-3-carboxylate. For skin contact, remove contaminated clothing and wash thoroughly with soap and water for at least 15 minutes. If inhaled, move to fresh air immediately. For eye contact, flush with water for 15 minutes. Seek immediate medical attention in all cases, especially given the carcinogenic nature of this substance. Bring the safety data sheet to medical personnel.
How to dispose of ethyl 1-(2,4-dichlorophenyl)-5-(trichloromethyl)-1,2,4-triazole-3-carboxylate appropriately?
Ethyl 1-(2,4-dichlorophenyl)-5-(trichloromethyl)-1,2,4-triazole-3-carboxylate must be disposed of as hazardous waste through licensed waste management companies. Due to its carcinogenic and aquatic toxicity properties, it requires special handling and high-temperature incineration in authorized facilities. Never dispose of in regular trash, sewers, or waterways. Contaminated packaging and materials must also be treated as hazardous waste. Consult local environmental authorities for specific disposal requirements and approved facilities.
How to transport 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 classified as ADR Class 9 (Miscellaneous dangerous goods), Packing Group III. Transport requires appropriate UN-specification packaging with proper labeling and documentation. Vehicles must carry appropriate emergency equipment and drivers need hazmat certification. Shipping documents must include proper shipping names, hazard classes, and emergency contact information. Ensure packages are secured and protected from damage during transit.
Is ethyl 1-(2,4-dichlorophenyl)-5-(trichloromethyl)-1,2,4-triazole-3-carboxylate subject to specific regulations?
Ethyl 1-(2,4-dichlorophenyl)-5-(trichloromethyl)-1,2,4-triazole-3-carboxylate is subject to multiple regulatory frameworks including REACH registration requirements and CLP classification as a Category 1B carcinogen. While not currently listed as an SVHC, its carcinogenic properties require strict compliance with occupational health regulations. Users must follow workplace exposure limits, proper labeling requirements, and safety data sheet provisions. Additional restrictions may apply depending on specific applications and local legislation.
Where to buy ethyl 1-(2,4-dichlorophenyl)-5-(trichloromethyl)-1,2,4-triazole-3-carboxylate in Europe?
Ethyl 1-(2,4-dichlorophenyl)-5-(trichloromethyl)-1,2,4-triazole-3-carboxylate is available through OYSI, a specialized European distributor of technical chemicals. As a professional chemical supplier, OYSI provides this compound with proper documentation, safety data sheets, and regulatory compliance. Purchase requires verification of legitimate use and appropriate handling capabilities due to the substance's hazardous classification. Contact OYSI directly for availability, technical specifications, and regulatory requirements for your specific application.
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ADR Consulting for 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 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.