Ethyl (2R)-2-[4-[(6-chloro-1,3-benzoxazol-2-yl)oxy]phenoxy]propanoate
C18H16ClNO5
ethyl (2R)-2-[4-[(6-chloro-1,3-benzoxazol-2-yl)oxy]phenoxy]propanoate
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Identification
- CAS Number
- 71283-80-2
- EC Number
- 615-273-7
- UN Number
- 3077
- Index Number
- 607-707-00-9
- PubChem CID
- 91707
Physical-chemical properties
- Molecular Formula
- C18H16ClNO5
- Molar Mass
- 361.80 g/mol
- IUPAC Name
- ethyl (2R)-2-[4-[(6-chloro-1,3-benzoxazol-2-yl)oxy]phenoxy]propanoate
Chemical Identifiers
- InChI
- InChI=1S/C18H16ClNO5/c1-3-22-17(21)11(2)23-13-5-7-14(8-6-13)24-18-20-15-9-4-12(19)10-16(15)25-18/h4-11H,3H2,1-2H3/t11-/m1/s1
- InChI Key
- PQKBPHSEKWERTG-LLVKDONJSA-N
Overview
Ethyl (2R)-2-[4-[(6-chloro-1,3-benzoxazol-2-yl)oxy]phenoxy]propanoate (CAS 71283-80-2) is a chiral benzoxazole derivative with herbicidal and plant growth regulation properties. This complex organic compound belongs to the aryloxyphenoxypropanoate class of chemicals, featuring a distinctive benzoxazole ring system linked through phenoxy bridges to a chiral propanoate ester. The molecular structure contains a chlorine substituent on the benzoxazole moiety, which contributes to its biological activity and environmental persistence characteristics. With a molecular weight of 361.8 g/mol and formula C18H16ClNO5, this substance exhibits specific stereochemistry at the propanoate center, indicated by the (2R) configuration. The compound presents notable safety considerations, classified with Warning signal word under GHS regulations. Primary hazards include skin sensitization potential (Skin Sens. 1), specific target organ toxicity following repeated exposure (STOT RE 2), and significant aquatic toxicity (Aquatic Acute 1; Aquatic Chronic 1). These properties require appropriate handling protocols including personal protective equipment and environmental containment measures during industrial processing. Industrial applications primarily focus on agricultural formulations where its herbicidal properties are utilized for selective weed control in crop protection systems. The compound also finds use in specialized plant growth regulation applications and as an intermediate in the synthesis of related agrochemical products. While structurally distinct from compounds like propan-2-yl N-(2-methoxy-5-phenylanilino)carbamate, it shares certain agricultural application profiles within crop protection chemistry. Transportation falls under ADR Class 9 (miscellaneous dangerous goods), requiring compliance with specific packaging and documentation requirements. OYSI maintains reliable supply chains for this specialized chemical intermediate, supporting European customers with technical-grade material for industrial applications.
Safety & Classification
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:
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 | Fenoxaprop-P-ethyl (ISO) |
| Marine Pollutant | No |
Frequently Asked Questions
What is ethyl (2R)-2-[4-[(6-chloro-1,3-benzoxazol-2-yl)oxy]phenoxy]propanoate?
Ethyl (2R)-2-[4-[(6-chloro-1,3-benzoxazol-2-yl)oxy]phenoxy]propanoate is an organic chemical compound with CAS number 71283-80-2 and molecular formula C18H16ClNO5. This chiral ester has a molecular weight of 361.8 g/mol and contains a benzoxazole ring system linked to a phenoxy group and a propanoate ester. The compound is classified as hazardous with Warning signal word and requires careful handling due to its potential health and environmental impacts.
What are the physicochemical properties of ethyl (2R)-2-[4-[(6-chloro-1,3-benzoxazol-2-yl)oxy]phenoxy]propanoate?
Ethyl (2R)-2-[4-[(6-chloro-1,3-benzoxazol-2-yl)oxy]phenoxy]propanoate is a solid organic compound at room temperature with a molecular weight of 361.8 g/mol. The substance contains aromatic rings and ester functional groups, suggesting limited water solubility but good solubility in organic solvents. Its chemical structure includes a chlorine substituent and benzoxazole ring system, which influence its physical properties and stability under various conditions.
What is ethyl (2R)-2-[4-[(6-chloro-1,3-benzoxazol-2-yl)oxy]phenoxy]propanoate used for?
Ethyl (2R)-2-[4-[(6-chloro-1,3-benzoxazol-2-yl)oxy]phenoxy]propanoate is primarily used as an intermediate in pharmaceutical and agrochemical synthesis. The compound's benzoxazole structure makes it valuable for developing biologically active molecules, particularly in the production of herbicides, pesticides, or pharmaceutical compounds. Its chiral nature (2R configuration) suggests applications requiring specific stereochemistry for biological activity or regulatory compliance in active ingredient manufacturing.
How to handle ethyl (2R)-2-[4-[(6-chloro-1,3-benzoxazol-2-yl)oxy]phenoxy]propanoate safely?
Safe handling requires appropriate personal protective equipment including chemical-resistant gloves, safety goggles, and protective clothing due to its Skin Sens. 1 classification. Work in well-ventilated areas or under fume extraction to minimize inhalation exposure, considering its STOT RE 2 classification. Avoid skin and eye contact, and ensure proper training on emergency procedures. Use non-sparking tools and equipment, and maintain strict hygiene practices including thorough hand washing after handling.
How to store ethyl (2R)-2-[4-[(6-chloro-1,3-benzoxazol-2-yl)oxy]phenoxy]propanoate correctly?
Store ethyl (2R)-2-[4-[(6-chloro-1,3-benzoxazol-2-yl)oxy]phenoxy]propanoate in a cool, dry, well-ventilated area away from heat sources and direct sunlight. Use tightly sealed original containers made of compatible materials to prevent contamination and degradation. Keep away from incompatible substances such as strong oxidizers and bases. Ensure storage areas have appropriate containment measures and access restrictions, with clear labeling including hazard information and handling precautions.
What to do in case of contact with ethyl (2R)-2-[4-[(6-chloro-1,3-benzoxazol-2-yl)oxy]phenoxy]propanoate?
Immediate skin contact requires thorough washing with soap and water for at least 15 minutes, removing contaminated clothing. For eye contact, flush immediately with clean water for 15 minutes, holding eyelids open. If inhaled, move to fresh air and monitor breathing. In case of ingestion, do not induce vomiting and seek immediate medical attention. Always consult a physician after significant exposure, providing the safety data sheet for proper medical evaluation and treatment.
How to dispose of ethyl (2R)-2-[4-[(6-chloro-1,3-benzoxazol-2-yl)oxy]phenoxy]propanoate appropriately?
Disposal must comply with local and national hazardous waste regulations due to its environmental hazard classifications (Aquatic Acute 1; Aquatic Chronic 1). Contact licensed waste disposal companies specialized in chemical waste management. Do not discharge into drains, waterways, or soil. Small quantities may require incineration at appropriate high-temperature facilities, while larger amounts need specialized treatment. Always consult local environmental authorities and maintain proper documentation for waste disposal tracking and compliance.
How to transport ethyl (2R)-2-[4-[(6-chloro-1,3-benzoxazol-2-yl)oxy]phenoxy]propanoate?
Transport follows ADR Class 9 (Miscellaneous Dangerous Goods), Packing Group III regulations for road transport within Europe. Use appropriate packaging meeting UN specifications with proper labeling including hazard pictogrammes (GHS07, GHS08, GHS09) and transport documentation. Ensure drivers have appropriate training and emergency equipment. Vehicles must carry proper placarding and emergency response information. Coordinate with experienced logistics providers familiar with chemical transport regulations to ensure full compliance.
Is ethyl (2R)-2-[4-[(6-chloro-1,3-benzoxazol-2-yl)oxy]phenoxy]propanoate subject to specific regulations?
The substance is subject to CLP regulation with mandatory hazard classification (STOT RE 2; Skin Sens. 1; Aquatic Acute 1; Aquatic Chronic 1) and Warning signal word. Under REACH regulation, it requires registration for manufacturing or importing above 1 tonne annually. The compound is not currently listed as SVHC (Substance of Very High Concern). Industrial users must comply with workplace exposure limits, environmental discharge controls, and proper risk assessment documentation according to European chemical safety regulations.
Where to buy ethyl (2R)-2-[4-[(6-chloro-1,3-benzoxazol-2-yl)oxy]phenoxy]propanoate in Europe?
OYSI serves as a reliable European distributor for ethyl (2R)-2-[4-[(6-chloro-1,3-benzoxazol-2-yl)oxy]phenoxy]propanoate, providing quality chemical products to industrial customers across Europe. As specialized chemical distributors, OYSI ensures proper handling, documentation, and regulatory compliance for hazardous materials. Contact OYSI directly for availability, technical specifications, safety data sheets, and pricing information tailored to your specific industrial applications and volume requirements.
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Ethyl (2R)-2-[4-[(6-chloro-1,3-benzoxazol-2-yl)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.