Prop-2-ynyl (2R)-2-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenoxy]propanoate
C17H13ClFNO4
prop-2-ynyl (2R)-2-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenoxy]propanoate
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Identification
- CAS Number
- 105512-06-9
- UN Number
- 3077
- Index Number
- 607-625-00-3
- PubChem CID
- 92431
Physical-chemical properties
- Molecular Formula
- C17H13ClFNO4
- Molar Mass
- 349.70 g/mol
- IUPAC Name
- prop-2-ynyl (2R)-2-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenoxy]propanoate
Chemical Identifiers
- InChI
- InChI=1S/C17H13ClFNO4/c1-3-8-22-17(21)11(2)23-13-4-6-14(7-5-13)24-16-15(19)9-12(18)10-20-16/h1,4-7,9-11H,8H2,2H3/t11-/m1/s1
- InChI Key
- JBDHZKLJNAIJNC-LLVKDONJSA-N
Overview
Prop-2-ynyl (2R)-2-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenoxy]propanoate (CAS 105512-06-9) is a halogenated pyridine derivative with selective herbicidal activity and complex aromatic structure. This specialized chemical compound represents a sophisticated example of modern agrochemical design, featuring a unique combination of pyridine, phenoxy, and propargyl functional groups. With a molecular formula of C17H13ClFNO4 and molecular weight of 349.7 g/mol, this substance exhibits the structural complexity typical of advanced crop protection agents. The molecule incorporates strategic halogen substitutions - both chlorine and fluorine atoms on the pyridine ring - which enhance its biological activity and environmental stability. The compound's safety profile requires careful handling protocols, as indicated by its classification under multiple hazard categories including acute toxicity (Category 4), specific target organ toxicity following repeated exposure (Category 2), and skin sensitization (Category 1). Environmental considerations are particularly important given its aquatic toxicity classifications, both acute and chronic (Category 1). Transportation falls under ADR Class 9 miscellaneous dangerous goods, reflecting its specialized handling requirements. Primary applications include selective herbicidal formulations for broadleaf weed control in various crop systems, particularly where precision targeting is essential. The compound also finds use in specialized agricultural research applications and as an intermediate in the synthesis of related agrochemical products. Its structural similarity to other halogenated compounds like S-(2,3,3-trichloroprop-2-enyl) N,N-di(propan-2-yl)carbamothioate places it within a family of agriculturally active substances with complementary modes of action. OYSI maintains reliable supply chains for this technical-grade compound, supporting European customers with consistent quality and comprehensive regulatory documentation.
Safety & Classification
Acute Tox. 4 *; STOT RE 2 *; Skin Sens. 1; 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
Skin Contact
Measures if substance contacts the skin
First Aid Actions
- +P302IF ON SKIN:
- +P352Wash with plenty of water.
- +P361Take off immediately all contaminated clothing.
- +P313Get medical advice/attention.
Related hazard statements:
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 | 3077 |
| ADR Class | 9 |
| Packing Group | III |
| Tunnel Code | - |
| Proper Shipping Name | Clodinafop-propargyl (ISO) |
| Marine Pollutant | No |
Frequently Asked Questions
What is prop-2-ynyl (2R)-2-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenoxy]propanoate?
Prop-2-ynyl (2R)-2-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenoxy]propanoate is a synthetic organic compound with the molecular formula C17H13ClFNO4 and CAS number 105512-06-9. This substance has a molecular weight of 349.7 g/mol and belongs to the class of halogenated pyridine derivatives. It contains chlorine and fluorine substituents on a pyridine ring system connected through ether linkages to a phenoxy group and a propanoate ester moiety with an alkyne functional group.
What are the physicochemical properties of prop-2-ynyl (2R)-2-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenoxy]propanoate?
Prop-2-ynyl (2R)-2-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenoxy]propanoate is an organic compound with molecular formula C17H13ClFNO4 and molecular weight 349.7 g/mol. The presence of halogen atoms (chlorine and fluorine) and multiple aromatic rings suggests it is likely a crystalline solid at room temperature. The compound contains both hydrophilic (ester, ether) and lipophilic (aromatic rings) groups, indicating moderate solubility characteristics in organic solvents.
What is prop-2-ynyl (2R)-2-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenoxy]propanoate used for?
Prop-2-ynyl (2R)-2-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenoxy]propanoate is primarily used as a chemical intermediate in pharmaceutical and agrochemical synthesis. Its complex structure containing halogenated pyridine and phenoxy groups makes it valuable for developing biologically active compounds. The substance serves as a building block in organic synthesis processes and may be utilized in research and development applications within the chemical industry for creating specialized compounds with specific biological or chemical properties.
How to handle prop-2-ynyl (2R)-2-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenoxy]propanoate safely?
Prop-2-ynyl (2R)-2-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenoxy]propanoate requires careful handling due to its Acute Tox. 4, STOT RE 2, and Skin Sens. 1 classifications. Essential protective equipment includes chemical-resistant gloves, safety goggles, and protective clothing. Work in well-ventilated areas or under fume hoods to prevent inhalation. Avoid skin contact and ensure proper hygiene practices. The substance carries GHS07, GHS08, and GHS09 pictograms indicating health and environmental hazards.
How to store prop-2-ynyl (2R)-2-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenoxy]propanoate correctly?
Prop-2-ynyl (2R)-2-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenoxy]propanoate should be stored in tightly sealed containers in a cool, dry, well-ventilated area away from heat sources and direct sunlight. Given its environmental hazard classification (Aquatic Acute 1, Aquatic Chronic 1), prevent release to the environment and store away from water sources. Keep containers properly labeled and store separately from incompatible materials. Ensure storage areas have appropriate spill containment measures and restrict access to authorized personnel only.
What to do in case of contact with prop-2-ynyl (2R)-2-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenoxy]propanoate?
Prop-2-ynyl (2R)-2-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenoxy]propanoate exposure requires immediate action due to its toxicity and skin sensitization properties. For skin contact, immediately remove contaminated clothing and wash thoroughly with soap and water for at least 15 minutes. If inhaled, move to fresh air immediately. For eye contact, flush with clean water for at least 15 minutes. Seek medical attention promptly, especially given the STOT RE 2 classification. Never induce vomiting if swallowed and contact emergency services immediately.
How to dispose of prop-2-ynyl (2R)-2-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenoxy]propanoate appropriately?
Prop-2-ynyl (2R)-2-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenoxy]propanoate must be disposed of through authorized hazardous waste disposal facilities due to its environmental and health hazard classifications. The substance cannot be disposed of in regular waste streams given its Aquatic Acute 1 and Aquatic Chronic 1 classifications. Contact licensed waste management companies specialized in chemical waste disposal. Follow all local, national, and EU waste regulations. Ensure proper documentation and waste tracking throughout the disposal process to maintain regulatory compliance.
How to transport prop-2-ynyl (2R)-2-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenoxy]propanoate?
Prop-2-ynyl (2R)-2-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenoxy]propanoate is classified as ADR Class 9 (Miscellaneous dangerous goods), Packing Group III for transportation purposes. This classification requires appropriate dangerous goods documentation, proper packaging according to ADR regulations, and transport by qualified carriers. Packages must display correct hazard labels and proper shipping names. Vehicles must carry appropriate emergency response information and drivers must hold valid dangerous goods transport certificates. Ensure compliance with all ADR requirements for Class 9 substances.
Is prop-2-ynyl (2R)-2-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenoxy]propanoate subject to specific regulations?
Prop-2-ynyl (2R)-2-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenoxy]propanoate is subject to EU REACH and CLP regulations due to its hazard classifications. The substance is not currently listed as an SVHC (Substance of Very High Concern). Suppliers must provide Safety Data Sheets and ensure proper classification and labeling according to CLP. Users must comply with occupational exposure limits and environmental protection requirements. The compound may also be subject to specific national regulations regarding handling, use, and disposal of hazardous chemicals.
Where to buy prop-2-ynyl (2R)-2-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenoxy]propanoate in Europe?
Prop-2-ynyl (2R)-2-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenoxy]propanoate is available through OYSI, a specialized European distributor of technical chemicals. OYSI provides this substance to qualified industrial and research customers with appropriate expertise in handling hazardous chemicals. Given the substance's classification as Acute Tox. 4 and other hazard categories, purchases are typically restricted to professional users with proper safety infrastructure. Contact OYSI directly for availability, technical specifications, and regulatory documentation required for safe handling and use.
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Prop-2-ynyl (2R)-2-[4-[(5-chloro-3-fluoro-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.