Methyl (2R)-2-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]propanoate
C16H13ClF3NO4
methyl (2R)-2-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]propanoate
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Identification
- CAS Number
- 72619-32-0
- EC Number
- 406-250-0
- UN Number
- 3082
- Index Number
- 607-335-00-7
- PubChem CID
- 13363033
Physical-chemical properties
- Molecular Formula
- C16H13ClF3NO4
- Molar Mass
- 375.72 g/mol
- IUPAC Name
- methyl (2R)-2-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]propanoate
Chemical Identifiers
- InChI
- InChI=1S/C16H13ClF3NO4/c1-9(15(22)23-2)24-11-3-5-12(6-4-11)25-14-13(17)7-10(8-21-14)16(18,19)20/h3-9H,1-2H3/t9-/m1/s1
- InChI Key
- MFSWTRQUCLNFOM-SECBINFHSA-N
Overview
Methyl (2R)-2-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]propanoate (CAS 72619-32-0) is an organofluorine compound with herbicidal properties and high aquatic toxicity. This chiral propanoate ester represents a sophisticated example of modern agrochemical design, featuring a complex molecular architecture that combines pyridine, phenoxy, and trifluoromethyl functional groups. With the molecular formula C16H13ClF3NO4 and a molecular weight of 375.72 g/mol, this compound demonstrates the structural complexity typical of selective herbicide active ingredients. The presence of the trifluoromethyl group enhances metabolic stability and bioactivity, while the chlorinated pyridine ring system contributes to its selective herbicidal mechanism of action. The compound exhibits significant environmental concerns, classified under Aquatic Acute 1 and Aquatic Chronic 1 hazard categories, indicating severe toxicity to aquatic organisms with long-lasting effects. Safety considerations include Acute Toxicity Category 4, requiring appropriate handling procedures and personal protective equipment. The GHS07 and GHS09 pictograms reflect both health hazards and environmental dangers, while ADR Class 9 classification governs its transportation as a miscellaneous dangerous substance. Primary industrial applications include formulation of selective herbicides for crop protection, particularly in cereal and broadleaf crop systems where precise weed control is essential. The compound also serves in agricultural research and development programs focused on herbicide resistance management. Unlike simpler triazine-based herbicides such as 2-N,4-N-diethyl-6-methylsulfanyl-1,3,5-triazine-2,4-diamine, this molecule offers enhanced selectivity profiles and reduced application rates. OYSI provides reliable access to this specialized agrochemical intermediate for qualified industrial customers throughout Europe, ensuring consistent quality and regulatory compliance for professional agricultural applications.
Safety & Classification
Acute Tox. 4 *; 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
Ingestion
Measures if substance is accidentally swallowed
First Aid Actions
- +P301IF SWALLOWED:
- +P330Rinse mouth.
- +P331Do NOT induce vomiting.
- +P310Immediately call a POISON CENTER/doctor.
Related hazard statements:
General Measures
Emergency 112 | Poison Control: +49 30 19240 (DE), +33 1 45 42 59 59 (FR), +31 30 274 88 88 (NL)
First aid measures are based on CLP classification and associated P-statements. They do not replace the Safety Data Sheet (SDS). In case of emergency, always consult the full SDS and a physician.
Transport (ADR)
| UN Number | 3082 |
| ADR Class | 9 |
| Packing Group | III |
| Tunnel Code | - |
| Proper Shipping Name | Haloxyfop-P-methyl (ISO) |
| Marine Pollutant | No |
Frequently Asked Questions
What is methyl (2R)-2-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]propanoate?
Methyl (2R)-2-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]propanoate is an organic chemical compound with CAS number 72619-32-0 and molecular formula C16H13ClF3NO4. This substance has a molecular weight of 375.72 g/mol and contains chlorine, fluorine, nitrogen, and oxygen atoms in its complex aromatic structure. It is classified as acutely toxic (category 4) and highly toxic to aquatic life with long-lasting effects, requiring careful handling and environmental protection measures.
What are the physicochemical properties of methyl (2R)-2-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]propanoate?
Methyl (2R)-2-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]propanoate is a solid organic compound at room temperature with a molecular weight of 375.72 g/mol. The presence of trifluoromethyl and chloro substituents typically imparts lipophilic characteristics and chemical stability. The compound contains both aromatic rings and ester functionality, which influences its solubility profile. Specific physical properties such as melting point, boiling point, and exact solubility data should be verified through technical data sheets from suppliers.
What is methyl (2R)-2-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]propanoate used for?
Methyl (2R)-2-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]propanoate is primarily used as an intermediate in pharmaceutical and agrochemical synthesis. The compound's complex structure containing pyridine and phenoxy groups makes it valuable for developing active pharmaceutical ingredients or crop protection agents. It may also serve as a building block in fine chemical manufacturing and research applications. Due to its specific stereochemistry (2R configuration), it is particularly important in producing enantiomerically pure compounds.
How to handle methyl (2R)-2-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]propanoate safely?
Safe handling requires appropriate personal protective equipment including chemical-resistant gloves, safety goggles, and protective clothing due to its Acute Tox. 4 classification. Work should be conducted in well-ventilated areas or under fume hoods to prevent inhalation exposure. Avoid skin and eye contact, and do not eat, drink, or smoke while handling. Wash hands thoroughly after use and ensure emergency eyewash and shower facilities are accessible. Follow good laboratory practices and refer to the safety data sheet for complete handling procedures.
How to store methyl (2R)-2-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]propanoate correctly?
Proper storage requires keeping the substance in a cool, dry, well-ventilated area away from incompatible materials and ignition sources. Store in original containers with tight seals to prevent contamination and moisture uptake. Given its aquatic toxicity classification, ensure storage areas have appropriate containment measures to prevent environmental release. Keep away from strong oxidizing agents and bases. Maintain storage temperature as recommended in the technical specifications and ensure containers are properly labeled with hazard information according to GHS requirements.
What to do in case of contact with methyl (2R)-2-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]propanoate?
Immediate first aid measures include removing contaminated clothing and flushing affected skin with plenty of water for at least 15 minutes. For eye contact, rinse thoroughly with water while holding eyelids open. If inhaled, move to fresh air immediately and seek medical attention if breathing difficulties occur. Do not induce vomiting if swallowed; rinse mouth and seek immediate medical attention. Given the Acute Tox. 4 classification, prompt medical evaluation is recommended for any significant exposure. Always consult the safety data sheet for detailed first aid instructions.
How to dispose of methyl (2R)-2-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]propanoate appropriately?
Disposal must comply with local, national, and international environmental regulations due to its Aquatic Acute 1 and Aquatic Chronic 1 classifications. The substance should never be released to sewers, waterways, or soil. Arrange disposal through licensed hazardous waste contractors capable of handling toxic organic compounds. Incineration at authorized high-temperature facilities is typically required. Empty containers should also be handled as hazardous waste. Consult local environmental authorities and waste management specialists to ensure proper disposal procedures are followed.
How to transport methyl (2R)-2-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]propanoate?
Transportation is regulated under ADR Class 9 (Miscellaneous Dangerous Substances), Packing Group III, indicating moderate hazard level. Packages must be properly labeled with appropriate hazard markings and transport documentation must accompany shipments. Use UN-specification packaging designed for Class 9 materials and ensure vehicles are equipped with appropriate emergency equipment. Transport should avoid extreme temperatures and rough handling. Drivers must be trained in dangerous goods handling and emergency response procedures. Comply with all applicable national and international transport regulations.
Is methyl (2R)-2-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]propanoate subject to specific regulations?
The substance is subject to REACH regulation requiring registration for manufacture or import above one tonne per year in the EU. It is not currently listed as a Substance of Very High Concern (SVHC). Classification under CLP regulation mandates appropriate labeling with GHS07 and GHS09 pictograms and 'Warning' signal word. Companies must maintain safety data sheets and ensure downstream user communication. Transport regulations under ADR/RID apply for shipping. Additional restrictions may apply depending on intended use, particularly in pharmaceutical or agrochemical applications.
Where to buy methyl (2R)-2-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]propanoate in Europe?
OYSI is a European distributor of chemical products that can supply methyl (2R)-2-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]propanoate to qualified industrial and research customers. As a specialized fine chemical, it is available through select chemical distributors serving pharmaceutical, agrochemical, and research sectors. Purchasers must comply with REACH registration requirements and provide appropriate end-use documentation. Contact OYSI directly to discuss availability, specifications, packaging options, and regulatory compliance support for your specific application requirements.
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Methyl (2R)-2-[4-[[3-chloro-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.