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

CAS72619-32-0
GHS07 Gefahrensymbol: Gesundheitsschädlich/Reizend – Ausrufezeichen
GHS09 Gefahrensymbol: Umweltgefährlich – Umwelt
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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 featuring chlorinated pyridine and phenoxy ester functionalities with selective biological activity properties. This complex organic molecule, with molecular formula C16H13ClF3NO4 and molecular weight 375.72 g/mol, represents a sophisticated example of modern synthetic chemistry combining multiple functional groups for specialized applications. The compound's structure incorporates a trifluoromethyl-substituted pyridine ring connected through oxygen linkages to a phenoxy group, which is further attached to a chiral propanoate ester. This intricate molecular architecture is designed to provide specific biological and chemical properties that make it valuable for targeted industrial applications. The presence of both chlorine and trifluoromethyl substituents significantly influences the compound's physicochemical properties, including its lipophilicity, metabolic stability, and biological activity profile. The (2R)-configuration at the propanoate center introduces stereochemical specificity, which is often crucial for biological activity and selectivity. Unlike simpler compounds such as 2-N,4-N-diethyl-6-methylsulfanyl-1,3,5-triazine-2,4-diamine, this molecule's complexity allows for more precise molecular interactions. From a safety perspective, this substance requires careful handling due to its classification as Acute Tox. 4 and its significant aquatic toxicity (Aquatic Acute 1; Aquatic Chronic 1). The Warning signal word and associated GHS07 and GHS09 pictograms indicate moderate acute toxicity concerns and environmental hazards. Transportation falls under ADR Class 9 for miscellaneous dangerous substances. Primary industrial applications include pharmaceutical intermediate synthesis, agrochemical development, and specialized research applications requiring precise molecular targeting. The compound's unique structure makes it particularly valuable in medicinal chemistry and crop protection research. OYSI maintains reliable supply chains for this specialized compound, ensuring consistent availability for European industrial customers requiring high-purity organofluorine intermediates.

Safety & Classification

Warning
Classification:

Acute Tox. 4 *; Aquatic Acute 1; Aquatic Chronic 1

HHazard Statements (H-Statements)

Describe the nature and severity of the hazard

H302

Harmful if swallowed.

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

Ingestion

Harmful

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 Number3082
ADR Class9
Packing GroupIII
Tunnel Code-
Proper Shipping NameHaloxyfop-P-methyl (ISO)
Marine PollutantNo

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 complex molecule has a molecular weight of 375.72 g/mol and features a chiral center, indicated by the (2R) stereochemical designation. The compound contains chlorine, fluorine, nitrogen, and oxygen functional groups within its pyridine-based structure, making it a highly specialized chemical intermediate.

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 compound at room temperature with a molecular weight of 375.72 g/mol. The presence of trifluoromethyl groups typically confers high chemical stability and low volatility. The compound's solubility characteristics are influenced by both its aromatic rings and polar functional groups. Its complex structure with multiple heteroatoms suggests moderate polarity, though specific solubility data should be confirmed through technical documentation.

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 a chemical intermediate in pharmaceutical and agrochemical synthesis. Its complex structure with pyridine rings and chiral center makes it valuable for developing biologically active compounds. The compound serves as a building block in organic synthesis, particularly in the production of specialized pharmaceuticals or crop protection agents. Its specific stereochemistry (2R configuration) is crucial for creating enantiomerically pure final products.

How to handle methyl (2R)-2-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]propanoate safely?

Methyl (2R)-2-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]propanoate requires careful handling due to its Acute Tox. 4 classification. Use appropriate personal protective equipment including safety goggles, gloves, and protective clothing. Work in well-ventilated areas or under fume hoods to avoid inhalation. The Warning signal word indicates moderate hazard level, but proper precautions are essential. Avoid direct skin and eye contact, and prevent ingestion. Follow good laboratory practices and consult the safety data sheet for specific handling procedures.

How to store methyl (2R)-2-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]propanoate correctly?

Methyl (2R)-2-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]propanoate should be stored in a cool, dry, well-ventilated area away from direct sunlight and heat sources. Keep containers tightly closed to prevent moisture absorption and contamination. Store away from incompatible materials and oxidizing agents. Given its aquatic toxicity classification, ensure proper containment to prevent environmental release. Use appropriate secondary containment and maintain proper inventory records. Store in original labeled containers and check regularly for signs of degradation or container damage.

What to do in case of contact with methyl (2R)-2-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]propanoate?

In case of skin contact with methyl (2R)-2-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]propanoate, immediately remove contaminated clothing and wash thoroughly with soap and water. For eye contact, flush immediately with clean 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. Given its Acute Tox. 4 classification, prompt medical evaluation is recommended for any significant exposure. Keep safety data sheet available for emergency responders.

How to dispose of methyl (2R)-2-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]propanoate appropriately?

Methyl (2R)-2-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]propanoate must be disposed of according to local and national hazardous waste regulations due to its toxicity and environmental hazard classifications. The compound requires specialized treatment due to its Aquatic Acute 1 and Aquatic Chronic 1 classifications, indicating high aquatic toxicity. Contact licensed hazardous waste disposal companies for proper treatment and disposal. Never discharge to sewers, waterways, or soil. Contaminated packaging should also be treated as hazardous waste and disposed of accordingly through approved channels.

How to transport 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 classified as ADR Class 9 (Miscellaneous dangerous substances), Packing Group III for transportation. This classification requires appropriate packaging, labeling, and documentation according to ADR regulations. Use UN-approved packaging suitable for Packing Group III materials. Proper shipping names, hazard labels, and transport documents must accompany shipments. Vehicle drivers require ADR training for Class 9 materials. Ensure packages are properly secured and protected from damage during transport to prevent environmental release.

Is methyl (2R)-2-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]propanoate subject to specific regulations?

Methyl (2R)-2-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]propanoate is subject to standard REACH registration and CLP classification requirements in Europe, though it is not currently listed as a Substance of Very High Concern (SVHC). The compound must comply with hazard classification requirements under CLP regulation, displaying appropriate GHS07 and GHS09 pictograms. Its acute toxicity and aquatic toxicity classifications may trigger additional reporting requirements for industrial use. Users must maintain safety data sheets and follow worker protection regulations based on its hazard profile.

Where to buy methyl (2R)-2-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]propanoate in Europe?

Methyl (2R)-2-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]propanoate is available through OYSI, a specialized European distributor of technical chemicals. OYSI provides this compound to pharmaceutical, agrochemical, and research organizations across Europe with proper documentation and regulatory compliance. As a specialized chemical intermediate, availability may be subject to minimum order quantities and lead times. Contact OYSI directly for current availability, specifications, pricing, and delivery options. Ensure your intended use complies with all applicable regulations before ordering this controlled substance.

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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.

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Data Sources

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