Butyl (2R)-2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]propanoate

C19H20F3NO4

butyl (2R)-2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]propanoate

CAS79241-46-6
GHS08 Gefahrensymbol: Gesundheitsgefahr – Gesundheitsgefahr
GHS09 Gefahrensymbol: Umweltgefährlich – Umwelt
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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 organic ester compound with trifluoromethyl-pyridine functionality and chiral configuration. This specialized chemical compound represents a complex ester derivative featuring a distinctive trifluoromethyl-substituted pyridine ring system linked through phenoxy bridges to a chiral propanoate moiety. With the molecular formula C19H20F3NO4 and a molecular weight of 383.4 g/mol, this substance exhibits structural characteristics typical of advanced pharmaceutical intermediates and agrochemical compounds. The presence of the trifluoromethyl group significantly influences its physicochemical properties, enhancing metabolic stability and lipophilicity compared to non-fluorinated analogs. The compound requires careful handling due to its classification as a reproductive toxicant (Category 2) and its acute and chronic aquatic toxicity profile, warranting GHS08 and GHS09 pictograms with a "Warning" signal word. These safety characteristics place it in ADR Class 9 for transportation purposes, requiring appropriate containment and documentation during shipping and storage operations. Industrial applications primarily center around pharmaceutical synthesis and crop protection formulations, where the compound's unique stereochemistry and fluorinated aromatic system provide valuable building block functionality. The trifluoromethyl-pyridine core structure shares similarities with other specialized compounds such as 3,4-dimethyl-2,6-dinitro-N-pentan-3-ylaniline, which also finds applications in agrochemical development. Additionally, like propan-2-yl N-(3-chlorophenyl)carbamate, this compound demonstrates the importance of carefully designed aromatic ester systems in modern chemical manufacturing. OYSI maintains reliable supply chains for this specialized compound, ensuring consistent availability for qualified industrial customers requiring high-purity chemical intermediates.

Safety & Classification

Warning
Classification:

Repr. 2; 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 Number3082
ADR Class9
Packing GroupIII
Tunnel Code-
Proper Shipping NameFluazifop-P-butyl (ISO)
Marine PollutantNo

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 a synthetic organic compound with the molecular formula C19H20F3NO4 and CAS number 79241-46-6. This chemical substance has a molecular weight of 383.4 g/mol and belongs to the class of phenoxypropanoate derivatives containing a trifluoromethyl-substituted pyridine ring. It is classified as a reproductive toxicant category 2 and presents acute and chronic aquatic toxicity, 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 is an organic ester compound with a molecular weight of 383.4 g/mol and the molecular formula C19H20F3NO4. The presence of the trifluoromethyl group and ester functionality influences its solubility characteristics and stability. As a phenoxypropanoate derivative, it typically exists as a liquid or solid at room temperature, though specific physical properties such as melting point, boiling point, and exact appearance require consultation of detailed technical datasheets.

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 as an active ingredient in agricultural applications, particularly as a herbicide for selective weed control. Its phenoxypropanoate structure makes it effective against certain grass weeds while showing selectivity toward broadleaf crops. The compound is utilized in professional agricultural formulations and may be incorporated into various pesticide products for crop protection applications, requiring proper authorization and registration according to plant protection product regulations.

How to handle butyl (2R)-2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]propanoate safely?

Safe handling of butyl (2R)-2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]propanoate requires appropriate personal protective equipment including chemical-resistant gloves, safety goggles, and protective clothing due to its Repr. 2 classification. Work in well-ventilated areas or use local exhaust ventilation to minimize inhalation exposure. Avoid direct skin and eye contact, and prevent release to the environment given its aquatic toxicity classification. Wash hands thoroughly after handling and ensure emergency procedures are readily available before starting work with this substance.

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 heat sources and direct sunlight in original containers with tight-fitting lids. Keep containers securely closed when not in use and store away from incompatible materials. Due to its environmental hazard classification, implement secondary containment measures to prevent accidental release. Maintain storage areas with appropriate temperature control and ensure access is restricted to trained personnel only, following all applicable chemical storage regulations.

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 remove contaminated clothing and wash affected area thoroughly with soap and water for at least 15 minutes. For eye contact, rinse immediately with plenty of clean water for 15 minutes, holding eyelids open. If inhaled, move person to fresh air and keep comfortable for breathing. In case of ingestion, rinse mouth and drink plenty of water. Seek immediate medical attention in all cases and provide the safety data sheet to medical personnel.

How to dispose of butyl (2R)-2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]propanoate appropriately?

Disposal of butyl (2R)-2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]propanoate must be conducted through licensed hazardous waste disposal facilities due to its reproductive toxicity and aquatic environmental hazards. Never dispose of this substance in sewers, waterways, or regular waste streams. Contaminated containers and materials require treatment as hazardous waste. Consult local environmental authorities for specific disposal requirements and approved waste management contractors. Incineration at authorized high-temperature facilities is typically the preferred disposal method for this type of organic compound.

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 substances), Packing Group III for transportation purposes. This classification requires appropriate UN-specification packaging, proper labeling with Class 9 hazard labels, and completion of transport documentation including dangerous goods declarations. Vehicles must carry appropriate emergency equipment and drivers require ADR training. The substance should be secured against movement during transport and emergency response information must be readily available throughout the journey.

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 REACH regulation requiring registration for manufacture or import above one tonne annually in the EU. The substance is classified under CLP regulation with Warning signal word, GHS08 (health hazard), and GHS09 (environmental hazard) pictograms. As a potential pesticide active ingredient, it may require authorization under plant protection product regulations. Although not currently listed as SVHC, its Repr. 2 classification means regulatory status should be monitored regularly.

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 and intermediates. OYSI provides this substance to qualified industrial customers with appropriate handling capabilities and regulatory compliance. Due to the substance's hazard classification and potential regulatory restrictions, purchases typically require verification of intended use, proper storage facilities, and waste management procedures. Contact OYSI directly for availability, specifications, and technical support for this specialized chemical intermediate.

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Butyl (2R)-2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]propanoate 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.