Butyl (2R)-2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]propanoate
C19H20F3NO4
butyl (2R)-2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]propanoate
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Identification
- CAS Number
- 79241-46-6
- UN Number
- 3082
- Index Number
- 607-305-00-3
- PubChem CID
- 3033674
Physical-chemical properties
- Molecular Formula
- C19H20F3NO4
- Molar Mass
- 383.40 g/mol
- IUPAC Name
- butyl (2R)-2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]propanoate
Chemical Identifiers
- InChI
- InChI=1S/C19H20F3NO4/c1-3-4-11-25-18(24)13(2)26-15-6-8-16(9-7-15)27-17-10-5-14(12-23-17)19(20,21)22/h5-10,12-13H,3-4,11H2,1-2H3/t13-/m1/s1
- InChI Key
- VAIZTNZGPYBOGF-CYBMUJFWSA-N
Overview
Butyl (2R)-2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]propanoate (CAS 79241-46-6) is an organofluorine compound featuring trifluoromethyl-substituted pyridine and phenoxy ester functionalities with pronounced biological activity. This complex ester derivative represents a sophisticated synthetic molecule characterized by its unique structural arrangement combining pyridine, phenoxy, and propanoate moieties. The presence of the trifluoromethyl group at the 5-position of the pyridine ring significantly influences the compound's physicochemical properties, enhancing its lipophilicity and metabolic stability. With a molecular formula of C19H20F3NO4 and molecular weight of 383.4 g/mol, this substance exhibits the structural complexity typical of advanced pharmaceutical intermediates and agrochemical compounds. The compound's safety profile requires careful handling protocols due to its classification as a reproductive toxicant (Category 2) and its high aquatic toxicity. The presence of GHS08 and GHS09 pictograms indicates both health hazards and environmental concerns, necessitating appropriate personal protective equipment and waste management procedures. Its ADR Class 9 classification as a miscellaneous dangerous substance reflects the need for specialized transport considerations. Industrial applications primarily focus on pharmaceutical synthesis and agrochemical formulations, where the compound serves as an important building block for bioactive molecules. The trifluoromethyl-pyridine scaffold is particularly valued in medicinal chemistry for its ability to modulate biological activity. Unlike simpler carbamate derivatives such as propan-2-yl N-(3-chlorophenyl)carbamate, this compound offers enhanced selectivity and potency in target applications. OYSI provides reliable access to this specialized chemical intermediate, supporting European manufacturers in pharmaceutical and agrochemical sectors with consistent quality and regulatory compliance.
Safety & Classification
Repr. 2; 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 | 3082 |
| ADR Class | 9 |
| Packing Group | III |
| Tunnel Code | - |
| Proper Shipping Name | Fluazifop-P-butyl (ISO) |
| Marine Pollutant | No |
Frequently Asked Questions
What is butyl (2R)-2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]propanoate?
Butyl (2R)-2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]propanoate is an organic chemical compound with the molecular formula C19H20F3NO4 and CAS number 79241-46-6. This substance has a molecular weight of 383.4 g/mol and features a complex structure containing trifluoromethyl and pyridinyl groups. It is classified as a reproductive toxicant category 2 and poses acute and chronic hazards to aquatic environments, requiring careful handling and environmental protection measures.
What are the physicochemical properties of butyl (2R)-2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]propanoate?
Butyl (2R)-2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]propanoate has a molecular weight of 383.4 g/mol and molecular formula C19H20F3NO4. The compound contains fluorinated groups which typically influence its physical properties such as stability and solubility characteristics. Due to its complex organic structure with ester and ether linkages, it likely exhibits moderate to low water solubility. Specific physical data such as melting point, boiling point, and density should be obtained from the supplier's technical documentation.
What is butyl (2R)-2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]propanoate used for?
Butyl (2R)-2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]propanoate is primarily used in specialized industrial applications and research. Given its complex aromatic structure with trifluoromethyl groups, it may serve as an intermediate in pharmaceutical synthesis, agrochemical production, or advanced material manufacturing. The specific applications depend on the compound's unique chemical properties and reactivity. Users should consult technical documentation and regulatory guidelines to ensure appropriate use in their intended applications.
How to handle butyl (2R)-2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]propanoate safely?
Butyl (2R)-2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]propanoate requires careful handling due to its reproductive toxicity classification (Repr. 2). Use appropriate personal protective equipment including chemical-resistant gloves, safety goggles, and protective clothing. Ensure adequate ventilation and avoid inhalation or skin contact. Work in a well-ventilated area or fume hood. Implement strict hygiene measures and wash hands thoroughly after handling. Pregnant workers should avoid exposure due to reproductive hazard classification.
How to store butyl (2R)-2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]propanoate correctly?
Butyl (2R)-2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]propanoate should be stored in a cool, dry, well-ventilated area away from incompatible materials. Keep containers tightly closed and protected from light and moisture. Store away from heat sources and ignition sources. Due to its aquatic toxicity classification, ensure secondary containment to prevent environmental release. Maintain storage areas with appropriate spill containment measures and emergency response equipment. Follow local regulations for storage of hazardous chemicals.
What to do in case of contact with butyl (2R)-2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]propanoate?
In case of skin contact with butyl (2R)-2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]propanoate, immediately wash with plenty of soap and water for at least 15 minutes. If eye contact occurs, rinse thoroughly with water for 15 minutes and seek medical attention. If inhaled, move to fresh air immediately. If ingested, do not induce vomiting and seek immediate medical attention. Due to reproductive toxicity concerns, always seek medical advice after exposure and inform medical personnel of the substance's hazard classification.
How to dispose of butyl (2R)-2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]propanoate properly?
Butyl (2R)-2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]propanoate must be disposed of through licensed hazardous waste disposal facilities due to its reproductive toxicity and aquatic hazard classifications. Never discharge to sewers, waterways, or soil due to its acute and chronic aquatic toxicity. Collect waste in appropriate containers and label clearly. Contact certified waste management companies for proper disposal. Follow local and national regulations for hazardous waste disposal, including waste classification codes and documentation requirements.
How to transport butyl (2R)-2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]propanoate?
Butyl (2R)-2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]propanoate is classified as ADR Class 9 (Miscellaneous Dangerous Goods), Packing Group III for transportation. This classification requires specific packaging, labeling, and documentation according to ADR regulations. Use approved packaging suitable for Class 9 materials and ensure proper hazard labels are applied. Transport documents must include the correct shipping name, UN number, and hazard class. Drivers must have appropriate ADR training for Class 9 materials.
Is butyl (2R)-2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]propanoate subject to specific regulations?
Butyl (2R)-2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]propanoate is subject to European REACH regulation and CLP classification requirements. It is classified under GHS with pictograms GHS08 (health hazard) and GHS09 (environmental hazard) with warning signal word. The substance is not currently identified as SVHC (Substance of Very High Concern). Users must comply with CLP labeling requirements, safety data sheet provisions, and workplace exposure regulations. Reproductive toxicity classification may trigger additional occupational health requirements.
Where to buy butyl (2R)-2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]propanoate in Europe?
Butyl (2R)-2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]propanoate is available through OYSI, a specialized European distributor of technical chemicals. OYSI provides professional-grade chemicals with proper documentation, safety data sheets, and regulatory compliance support throughout Europe. As an established chemical distributor, OYSI ensures product quality, proper packaging, and adherence to transportation regulations. Contact OYSI directly for availability, technical specifications, and pricing information for your specific application requirements.
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ADR Consulting for Butyl (2R)-2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]propanoate
Butyl (2R)-2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]propanoate 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.