Ethyl 2-[2-chloro-5-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]-4-fluorophenoxy]acetate
C15H13Cl2F3N2O4
ethyl 2-[2-chloro-5-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]-4-fluorophenoxy]acetate
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Identification
- CAS Number
- 129630-19-9
- UN Number
- 3077
- Index Number
- 613-203-00-X
- PubChem CID
- 182951
Physical-chemical properties
- Molecular Formula
- C15H13Cl2F3N2O4
- Molar Mass
- 413.20 g/mol
- IUPAC Name
- ethyl 2-[2-chloro-5-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]-4-fluorophenoxy]acetate
Chemical Identifiers
- InChI
- InChI=1S/C15H13Cl2F3N2O4/c1-3-24-11(23)6-25-10-4-7(9(18)5-8(10)16)13-12(17)14(22(2)21-13)26-15(19)20/h4-5,15H,3,6H2,1-2H3
- InChI Key
- APTZNLHMIGJTEW-UHFFFAOYSA-N
Overview
Ethyl 2-[2-chloro-5-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]-4-fluorophenoxy]acetate (CAS 129630-19-9) is a halogenated pyrazole derivative with significant aquatic toxicity and specialized industrial applications. This complex organofluorine compound features a distinctive molecular structure combining multiple halogen substituents including chlorine and fluorine atoms, along with a difluoromethoxy group attached to a methylpyrazole ring system. The ethyl acetate functionality provides additional chemical versatility, making this substance valuable in specialized chemical synthesis applications. With a molecular formula of C15H13Cl2F3N2O4 and molecular weight of 413.2 g/mol, this compound exhibits unique physicochemical properties due to its highly substituted aromatic framework. The substance is classified under GHS with the environmental hazard pictogram (GHS09) and carries a "Warning" signal word, reflecting its classification as Aquatic Acute 1 and Aquatic Chronic 1. These classifications indicate significant toxicity to aquatic life with long-lasting effects, requiring careful environmental consideration during handling and disposal. The ADR Class 9 designation categorizes it as a miscellaneous dangerous substance for transport purposes. Industrial applications typically include use as an intermediate in pharmaceutical synthesis, agrochemical development, and specialized organic transformations where the unique combination of pyrazole and phenoxyacetate functionalities is required. The compound may also serve in research applications for developing new chemical entities with similar structural motifs. Unlike simpler compounds such as copper(1+) thiocyanate, this molecule's complex structure enables highly specific chemical interactions. OYSI provides reliable access to this specialized chemical intermediate, supporting European industrial and research applications with comprehensive technical documentation and regulatory compliance.
Safety & Classification
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 | Pyraflufen-Ethyl (ISO) |
| Marine Pollutant | No |
Frequently Asked Questions
What is ethyl 2-[2-chloro-5-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]-4-fluorophenoxy]acetate?
Ethyl 2-[2-chloro-5-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]-4-fluorophenoxy]acetate is a complex organic compound with CAS number 129630-19-9 and molecular formula C15H13Cl2F3N2O4. This halogenated substance has a molecular weight of 413.2 g/mol and contains multiple functional groups including chlorine, fluorine, and pyrazole moieties. It is classified as hazardous to aquatic environments and requires careful handling according to safety regulations.
What are the physicochemical properties of ethyl 2-[2-chloro-5-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]-4-fluorophenoxy]acetate?
This compound is a halogenated organic ester with significant molecular complexity due to its multiple substituents. The presence of chlorine and fluorine atoms, combined with the pyrazole ring system, influences its chemical stability and reactivity. Its molecular weight of 413.2 g/mol indicates a relatively large molecule. The specific physical properties such as melting point, boiling point, and solubility would depend on detailed analytical characterization.
What is ethyl 2-[2-chloro-5-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]-4-fluorophenoxy]acetate used for?
This compound is typically used as an intermediate in pharmaceutical or agrochemical synthesis due to its complex halogenated structure containing pyrazole functionality. The presence of multiple reactive sites makes it valuable for further chemical modifications in industrial processes. Its specific applications would depend on the target molecules being synthesized, often serving as a building block in the development of bioactive compounds or specialty chemicals.
How to handle ethyl 2-[2-chloro-5-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]-4-fluorophenoxy]acetate safely?
Safe handling requires appropriate personal protective equipment including chemical-resistant gloves, safety goggles, and protective clothing. Work should be conducted in well-ventilated areas or under fume extraction systems to prevent inhalation exposure. Given its aquatic toxicity classification (Aquatic Acute 1; Aquatic Chronic 1), prevent environmental release. Follow standard laboratory safety protocols for handling organic chemicals and ensure proper training before use.
How to store ethyl 2-[2-chloro-5-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]-4-fluorophenoxy]acetate correctly?
Store this compound in a cool, dry place away from direct sunlight and heat sources to maintain stability. Use tightly sealed containers to prevent moisture ingress and contamination. Keep away from incompatible materials such as strong oxidizing agents or bases. Ensure storage areas have appropriate ventilation and secondary containment to prevent environmental release. Follow local regulations for chemical storage and maintain proper inventory records.
What to do in case of contact with ethyl 2-[2-chloro-5-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]-4-fluorophenoxy]acetate?
Immediate action involves removing contaminated clothing and rinsing affected skin or eyes with plenty of clean water for at least 15 minutes. If inhaled, move the person to fresh air immediately. Seek medical attention if symptoms persist or if significant exposure has occurred. Do not induce vomiting if swallowed. Keep safety data sheets readily available for emergency responders and follow specific first aid measures outlined in the product documentation.
How to dispose of ethyl 2-[2-chloro-5-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]-4-fluorophenoxy]acetate properly?
Disposal must comply with local and national hazardous waste regulations due to its aquatic toxicity classification. Contact licensed hazardous waste disposal companies for proper treatment and disposal. Do not discharge into sewers, waterways, or soil. Small laboratory quantities may require incineration at appropriate facilities. Maintain disposal records and ensure containers are properly labeled before collection by waste management services.
How to transport ethyl 2-[2-chloro-5-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]-4-fluorophenoxy]acetate?
This substance is classified as ADR Class 9 (Miscellaneous dangerous substances), Packing Group III for transportation purposes. Use appropriate UN-specification packaging and ensure proper labeling with GHS09 environmental hazard pictogram. Transport documentation must include safety data sheets and emergency response information. Comply with quantity limitations and vehicle requirements specified for Class 9 materials under ADR regulations.
Is ethyl 2-[2-chloro-5-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]-4-fluorophenoxy]acetate subject to special regulations?
This compound is subject to CLP regulation classification as Aquatic Acute 1 and Aquatic Chronic 1, requiring appropriate hazard communication including Warning signal word and GHS09 pictogram. It falls under REACH regulation requirements for registration and safety assessment. While not currently listed as SVHC, users must comply with environmental protection measures due to its aquatic toxicity. Check local restrictions before use or import.
Where to buy ethyl 2-[2-chloro-5-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]-4-fluorophenoxy]acetate in Europe?
OYSI serves as a reliable European distributor for this specialized chemical compound, providing quality products with proper documentation and regulatory compliance. As a professional chemical distributor, OYSI ensures appropriate packaging, labeling, and safety data sheet provision. Contact OYSI directly for availability, specifications, and technical support. Professional customers can benefit from OYSI's expertise in handling and distributing specialty chemicals across European markets.
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Ethyl 2-[2-chloro-5-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]-4-fluorophenoxy]acetate 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.