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 chlorofluorinated pyridine derivative featuring selective herbicidal properties and environmental persistence characteristics. This complex organofluorine compound represents an advanced class of pyridine-based agricultural chemicals, distinguished by its unique molecular architecture combining a propargyl ester group with a substituted pyridine ring system. The molecule's stereochemical configuration at the R-center contributes significantly to its biological activity profile. With a molecular formula of C17H13ClFNO4 and molecular weight of 349.7 g/mol, this compound exhibits the structural complexity typical of modern selective herbicides. The substance presents moderate acute toxicity (Acute Tox. 4) and potential for specific target organ toxicity following repeated exposure (STOT RE 2). Its skin sensitizing properties (Skin Sens. 1) require careful handling protocols in industrial applications. The compound demonstrates significant environmental impact potential, classified as both acutely and chronically toxic to aquatic life (Aquatic Acute 1, Aquatic Chronic 1), necessitating stringent containment measures during storage and handling. Primary industrial applications include selective weed control in agricultural formulations, particularly for post-emergence herbicidal treatments. The compound also finds use in specialty chemical synthesis and as an intermediate in pharmaceutical research. Unlike related compounds such as S-(2,3,3-trichloroprop-2-enyl) N,N-di(propan-2-yl)carbamothioate, this pyridine derivative offers enhanced selectivity profiles in targeted applications. Transportation requirements follow ADR Class 9 specifications, reflecting its environmental hazard classification. OYSI maintains technical-grade supplies of this specialized compound for qualified industrial customers across European markets.
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 an organic chemical compound with CAS number 105512-06-9 and molecular formula C17H13ClFNO4. This substance has a molecular weight of 349.7 g/mol and contains chlorine, fluorine, and nitrogen functional groups within its complex aromatic structure. It is classified as a hazardous chemical requiring proper handling procedures and safety precautions during use.
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 a solid compound at room temperature with a molecular weight of 349.7 g/mol. The presence of halogen substituents (chlorine and fluorine) and aromatic rings influences its physical properties including melting point and solubility characteristics. The compound's complex structure with ether linkages and ester functionality affects its chemical stability and reactivity patterns.
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 in specialized industrial applications and research settings. Its complex molecular structure suggests potential applications in pharmaceutical intermediates, agrochemical synthesis, or as a building block in organic chemistry. The compound's specific functional groups make it valuable for targeted chemical transformations and specialized manufacturing processes requiring precise molecular architecture.
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 and Skin Sens. 1 classifications. Wear appropriate personal protective equipment including chemical-resistant gloves, safety goggles, and protective clothing. Work in well-ventilated areas or under fume extraction. Avoid skin contact and inhalation. Follow GHS07, GHS08, and GHS09 pictogram warnings and maintain proper hygiene practices.
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 incompatible materials. Keep containers upright and properly labeled according to GHS requirements. Store away from strong oxidizers and bases due to its chemical structure. Maintain storage conditions that prevent degradation and ensure container integrity to avoid environmental contamination.
What to do in case of contact with prop-2-ynyl (2R)-2-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenoxy]propanoate?
Immediate action is required following contact with prop-2-ynyl (2R)-2-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenoxy]propanoate due to its skin sensitization properties. For skin contact, remove contaminated clothing and wash affected area thoroughly with soap and water for at least 15 minutes. In case of eye contact, flush immediately with clean water. If inhaled, move to fresh air. Seek medical attention if symptoms develop or persist, especially given the compound's toxicity classification.
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 as hazardous waste due to its Aquatic Acute 1 and Aquatic Chronic 1 classifications. Never discharge to drains or the environment. Contact licensed hazardous waste disposal companies for proper treatment and disposal. Follow local and national regulations for hazardous chemical waste management. Contaminated packaging should also be treated as hazardous waste.
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, Packing Group III for transportation purposes. Use appropriate packaging that meets UN specification requirements for Class 9 substances. Ensure proper labeling with hazard identification numbers and shipping names. Transport vehicles must comply with ADR regulations including equipment requirements and driver training. Accompany shipments with proper transport documents and emergency response information.
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 REACH and CLP regulations within the European Union, though it is not classified as a Substance of Very High Concern (SVHC). Registration requirements may apply depending on annual tonnage. The substance must be classified and labeled according to CLP regulation with appropriate hazard statements and precautionary measures. Additional national restrictions may apply in specific countries.
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 compound to qualified industrial and research customers across Europe with proper documentation and regulatory compliance. As a specialized chemical, availability may be subject to minimum order quantities and lead times. Contact OYSI directly for specific requirements, technical specifications, and regulatory documentation.
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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.