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

CAS129630-19-9
GHS09 Gefahrensymbol: Umweltgefährlich – Umwelt
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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 specialized organofluorine compound with significant environmental toxicity characteristics. This complex pyrazole-containing ester represents an important class of halogenated organic compounds widely utilized in industrial applications. With its molecular formula C15H13Cl2F3N2O4 and molecular weight of 413.2 g/mol, this substance exhibits unique chemical properties derived from its multiple halogen substituents and heterocyclic pyrazole core structure. The compound features a distinctive molecular architecture combining chlorinated aromatic rings, fluorine substituents, and a difluoromethoxy functional group. These structural elements contribute to its specific reactivity profile and environmental behavior. The presence of both electron-withdrawing halogens and the pyrazole heterocycle creates a compound with enhanced stability under various chemical conditions. Safety considerations are paramount when handling this substance, as it carries aquatic toxicity classifications (Aquatic Acute 1 and Aquatic Chronic 1) with the GHS09 environmental hazard pictogram and "Warning" signal word. The ADR Class 9 designation indicates it requires careful transport protocols as a miscellaneous dangerous substance. Industrial applications typically include specialized chemical synthesis processes, particularly in pharmaceutical intermediates and agrochemical manufacturing. The compound may also serve as a precursor in the development of more complex molecular structures, similar to how substances like 1-N,1-N,3-N,3-N-tetracyclohexylbenzene-1,3-dicarboxamide function in specialized chemical transformations. OYSI maintains reliable supply chains for this technical-grade compound, ensuring consistent availability for European industrial customers requiring high-quality halogenated organic intermediates.

Safety & Classification

Warning
Classification:

Aquatic Acute 1; Aquatic Chronic 1

HHazard Statements (H-Statements)

Describe the nature and severity of the hazard

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 NamePyraflufen-Ethyl (ISO)
Marine PollutantNo

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 the molecular formula C15H13Cl2F3N2O4 and CAS number 129630-19-9. This substance has a molecular weight of 413.2 g/mol and contains multiple halogen atoms (chlorine and fluorine) along with pyrazole and phenoxy functional groups. It is classified as hazardous to the aquatic environment with both acute and chronic toxicity properties.

What are the physicochemical properties of 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 halogenated organic ester with significant molecular complexity due to its multiple functional groups. The presence of chlorine, fluorine, and difluoromethoxy groups suggests low volatility and potential lipophilic characteristics. Its molecular weight of 413.2 g/mol indicates it is a relatively heavy organic molecule. Specific physical properties such as melting point, boiling point, and solubility data would require detailed analytical characterization.

What is ethyl 2-[2-chloro-5-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]-4-fluorophenoxy]acetate used for?

Ethyl 2-[2-chloro-5-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]-4-fluorophenoxy]acetate is typically used as an intermediate in chemical synthesis and pharmaceutical research. Its complex structure containing pyrazole and phenoxy groups makes it valuable for developing agrochemicals, pharmaceuticals, or specialty chemicals. The compound may serve as a building block in organic synthesis or as a research chemical for academic and industrial laboratories studying similar molecular structures.

How to safely handle ethyl 2-[2-chloro-5-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]-4-fluorophenoxy]acetate?

Safe handling of ethyl 2-[2-chloro-5-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]-4-fluorophenoxy]acetate requires standard laboratory safety protocols including wearing appropriate personal protective equipment such as chemical-resistant gloves, safety glasses, and lab coats. Work should be conducted in well-ventilated areas or under fume hoods. Given its aquatic toxicity classification, special care must be taken to prevent environmental release. Avoid direct contact with skin, eyes, and prevent inhalation of any vapors or dust.

How to properly store ethyl 2-[2-chloro-5-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]-4-fluorophenoxy]acetate?

Proper storage of ethyl 2-[2-chloro-5-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]-4-fluorophenoxy]acetate requires keeping the substance in tightly sealed containers in a cool, dry, and well-ventilated area away from heat sources and incompatible materials. As an ester compound, it should be stored away from strong bases and acids. Given its environmental hazard classification, storage areas must have appropriate containment measures to prevent accidental release into the environment.

What to do in case of contact with ethyl 2-[2-chloro-5-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]-4-fluorophenoxy]acetate?

In case of skin contact with ethyl 2-[2-chloro-5-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]-4-fluorophenoxy]acetate, immediately wash the affected area with plenty of soap and water. For eye contact, rinse thoroughly with water for at least 15 minutes and seek medical attention. If inhaled, move to fresh air immediately. In case of ingestion, do not induce vomiting and seek immediate medical attention. Always consult the safety data sheet and contact emergency services if severe symptoms occur.

How to properly dispose of ethyl 2-[2-chloro-5-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]-4-fluorophenoxy]acetate?

Proper disposal of ethyl 2-[2-chloro-5-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]-4-fluorophenoxy]acetate must be conducted through authorized hazardous waste disposal facilities due to its aquatic toxicity classification. The substance cannot be disposed of in regular waste streams or poured down drains due to its environmental hazard properties. Contact licensed waste management companies specializing in chemical waste disposal and follow all local, national, and EU regulations regarding hazardous waste handling and disposal.

How to transport ethyl 2-[2-chloro-5-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]-4-fluorophenoxy]acetate?

Transportation of ethyl 2-[2-chloro-5-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]-4-fluorophenoxy]acetate is regulated under ADR class 9 (miscellaneous dangerous goods) with packing group III classification. This indicates it presents a relatively lower degree of danger during transport but still requires proper packaging, labeling, and documentation. Packages must be properly marked and labeled according to ADR regulations, and transport documents must accompany shipments. Only certified carriers should handle the transportation of this regulated substance.

Is ethyl 2-[2-chloro-5-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]-4-fluorophenoxy]acetate subject to specific regulations?

Ethyl 2-[2-chloro-5-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]-4-fluorophenoxy]acetate is subject to European chemical regulations including REACH registration requirements and CLP classification as aquatic acute and chronic category 1. While not currently listed as a Substance of Very High Concern (SVHC), its environmental hazard classification means it must be handled according to strict environmental protection measures. Companies using this substance must comply with safety data sheet requirements and appropriate risk management measures under EU chemical legislation.

Where to buy ethyl 2-[2-chloro-5-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]-4-fluorophenoxy]acetate in Europe?

Ethyl 2-[2-chloro-5-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]-4-fluorophenoxy]acetate is available through OYSI, a specialized European distributor of technical chemicals. As a professional chemical supplier, OYSI can provide this compound with proper documentation, safety data sheets, and regulatory compliance for research and industrial applications. Contact OYSI directly to inquire about availability, packaging options, and delivery arrangements for this specialized chemical compound within Europe.

Services for Ethyl 2-[2-chloro-5-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]-4-fluorophenoxy]acetate

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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.

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Data Sources

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