Butyl 2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]propanoate
C19H20F3NO4
butyl 2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]propanoate
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Identification
- CAS Number
- 69806-50-4
- EC Number
- 274-125-6
- UN Number
- 3082
- Index Number
- 607-304-00-8
- PubChem CID
- 50897
Physical-chemical properties
- Molecular Formula
- C19H20F3NO4
- Molar Mass
- 383.40 g/mol
- IUPAC Name
- butyl 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
- InChI Key
- VAIZTNZGPYBOGF-UHFFFAOYSA-N
Overview
Butyl 2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]propanoate (CAS 69806-50-4) is a specialized fluorinated pyridine ester compound with significant biological activity properties. This complex organic molecule belongs to the class of pyridine derivatives featuring a trifluoromethyl group, which imparts unique chemical stability and biological properties. With a molecular formula of C19H20F3NO4 and molecular weight of 383.4 g/mol, this compound exhibits the characteristic structural features of phenoxypyridine-based active substances. The EC number 274-125-6 identifies this substance within European chemical regulations, where it is classified under hazard class 9 for transport purposes. The compound's structure incorporates multiple functional groups including pyridine, phenoxy, and ester moieties, creating a sophisticated molecule with specific interaction capabilities. The trifluoromethyl substituent on the pyridine ring significantly influences the compound's lipophilicity and metabolic stability, properties that are highly valued in various technical applications. This fluorinated architecture shares certain structural similarities with other specialized compounds like (4-ethoxyphenyl)-[3-(4-fluoro-3-phenoxyphenyl)propyl]-dimethylsilane, though they serve different industrial purposes. Safety considerations are paramount when handling this substance, as it carries the signal word "Danger" with pictograms GHS08 and GHS09, indicating reproductive toxicity (Repr. 1B) and aquatic environmental hazards (Aquatic Acute 1; Aquatic Chronic 1). These classifications necessitate specialized handling protocols and environmental protection measures during storage, transport, and use. Primary industrial applications include specialty chemical synthesis, research and development activities, and as an intermediate in pharmaceutical or agrochemical manufacturing processes. The compound's unique structural features make it particularly valuable in applications requiring precise molecular interactions and enhanced stability profiles. OYSI maintains reliable supply chains for this specialized compound, ensuring consistent availability for European industrial customers requiring high-quality fluorinated pyridine derivatives.
Safety & Classification
Repr. 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 | 3082 |
| ADR Class | 9 |
| Packing Group | III |
| Tunnel Code | - |
| Proper Shipping Name | Fluazifop-butyl (ISO) |
| Marine Pollutant | No |
Frequently Asked Questions
What is butyl 2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]propanoate?
Butyl 2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]propanoate is an organic chemical compound with the molecular formula C19H20F3NO4 and CAS number 69806-50-4. This substance has a molecular weight of 383.4 g/mol and contains trifluoromethyl and pyridine functional groups. It is classified as a reproductive toxicant category 1B and poses significant environmental hazards to aquatic life, requiring careful handling and specialized safety measures in industrial applications.
What are the physicochemical properties of butyl 2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]propanoate?
Butyl 2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]propanoate is an organic ester compound with a molecular weight of 383.4 g/mol. The presence of trifluoromethyl groups typically imparts stability and lipophilicity to the molecule. As an ester derivative, it likely exists as a liquid or low-melting solid at room temperature. The trifluoromethyl substituent generally reduces water solubility while increasing stability against hydrolysis and metabolic degradation.
What is butyl 2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]propanoate used for?
Butyl 2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]propanoate is primarily used as an active ingredient in herbicidal formulations and plant protection products. The compound's structure, featuring pyridine and trifluoromethyl groups, is characteristic of selective herbicides that target specific enzymatic pathways in unwanted vegetation. It is utilized in agricultural and professional pest control applications where precise weed management is required while minimizing impact on desired crops.
How to handle butyl 2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]propanoate safely?
Butyl 2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]propanoate requires strict safety protocols due to its reproductive toxicity classification (Repr. 1B). Essential PPE includes chemical-resistant gloves, protective clothing, and respiratory protection when handling. Work in well-ventilated areas or under fume extraction systems. Avoid skin contact, inhalation, and ingestion. Pregnant women should not handle this substance. Emergency eyewash and shower facilities must be readily accessible during handling operations.
How to store butyl 2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]propanoate correctly?
Butyl 2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]propanoate must be stored in tightly sealed containers in a cool, dry, well-ventilated area away from heat sources and direct sunlight. Due to its environmental hazards (Aquatic Acute 1, Aquatic Chronic 1), storage areas must have appropriate containment measures to prevent environmental release. Keep away from incompatible materials such as strong oxidizers and bases. Restrict access to authorized personnel only and maintain proper inventory records.
What to do in case of contact with butyl 2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]propanoate?
Immediate action is required upon contact with butyl 2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]propanoate. For skin contact, remove contaminated clothing and wash thoroughly with soap and water for at least 15 minutes. In case of eye contact, rinse immediately with clean water for 15-20 minutes and remove contact lenses if present. If inhaled, move to fresh air immediately. For ingestion, do not induce vomiting and seek immediate medical attention. Always consult a physician and provide the safety data sheet.
How to dispose of butyl 2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]propanoate appropriately?
Butyl 2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]propanoate must be disposed of through authorized hazardous waste contractors due to its reproductive toxicity and aquatic environmental hazards. Never discharge into drains, waterways, or soil. Contaminated containers and materials require treatment as hazardous waste. Follow local and national waste regulations, including proper waste classification codes. Incineration at licensed high-temperature facilities is typically the preferred disposal method for this type of organic compound.
How to transport butyl 2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]propanoate?
Butyl 2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]propanoate is classified as ADR Class 9 (Miscellaneous Dangerous Goods), Packing Group III for transportation purposes. This classification requires appropriate UN-specification packaging, proper labeling with Class 9 hazard labels, and transport documentation including dangerous goods declarations. Vehicles must carry appropriate emergency equipment and drivers need ADR certification. The relatively lower packing group III indicates moderate danger during transport, but all ADR regulations must still be strictly followed.
Is butyl 2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]propanoate subject to special regulations?
Butyl 2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]propanoate is subject to comprehensive EU chemical regulations including REACH registration requirements and CLP classification as reproductive toxicant category 1B. While not currently listed as an SVHC, its reproductive toxicity classification subjects it to strict authorization and restriction procedures. Users must comply with occupational exposure limits, implement risk management measures, and maintain detailed safety documentation. Biocidal and plant protection product regulations may also apply depending on intended use.
Where to buy butyl 2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]propanoate in Europe?
Butyl 2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]propanoate is available through OYSI, a specialized European distributor of technical chemicals and active pharmaceutical ingredients. OYSI provides comprehensive regulatory support, quality documentation, and technical expertise for this controlled substance. Due to the compound's reproductive toxicity classification and environmental hazards, procurement requires proper authorization, end-use verification, and compliance with REACH regulations. Contact OYSI directly for availability, specifications, and regulatory guidance for your specific application requirements.
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Butyl 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.