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

CAS71283-80-2
GHS08 Gefahrensymbol: Gesundheitsgefahr – Gesundheitsgefahr
GHS07 Gefahrensymbol: Gesundheitsschädlich/Reizend – Ausrufezeichen
GHS09 Gefahrensymbol: Umweltgefährlich – Umwelt
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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 specialized benzoxazole derivative with selective herbicidal properties and complex aromatic ether functionality. This sophisticated organic compound represents an important class of phenoxypropionic acid derivatives widely utilized in agricultural chemistry and specialized industrial applications. With its molecular formula C18H16ClNO5 and molecular weight of 361.8 g/mol, this substance features a distinctive benzoxazole ring system linked through ether bridges to a chiral propionic acid ester backbone. The presence of the chlorine substituent on the benzoxazole moiety significantly influences its biological activity and chemical stability profile. The compound exhibits notable safety considerations, classified under STOT RE 2 (specific target organ toxicity following repeated exposure), Skin Sens. 1 (skin sensitization), and both Aquatic Acute 1 and Aquatic Chronic 1 categories, indicating significant environmental persistence and toxicity to aquatic organisms. These hazard classifications necessitate appropriate handling protocols and environmental protection measures during storage, transportation, and application. Primary industrial applications include selective herbicide formulations for crop protection, particularly in cereal and broadleaf crop systems where precise weed control is essential. The compound also finds utility in specialized pharmaceutical intermediate synthesis and advanced materials research. Unlike structurally simpler compounds such as propan-2-yl N-(2-methoxy-5-phenylanilino)carbamate, this benzoxazole derivative offers enhanced selectivity and environmental fate characteristics. As a Class 9 miscellaneous dangerous substance under ADR regulations, proper documentation and specialized handling expertise are required for safe distribution and application. OYSI maintains strategic inventory levels of this specialized chemical intermediate to support our European clientele's technical requirements.

Safety & Classification

Warning
Classification:

STOT RE 2; Skin Sens. 1; Aquatic Acute 1; Aquatic Chronic 1

HHazard Statements (H-Statements)

Describe the nature and severity of the hazard

H373

May cause damage to organs through prolonged or repeated exposure.

H317

May cause an allergic skin reaction.

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

Skin Contact

Irritant

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 Number3077
ADR Class9
Packing GroupIII
Tunnel Code-
Proper Shipping NameFenoxaprop-P-ethyl (ISO)
Marine PollutantNo

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 a synthetic organic compound with the molecular formula C18H16ClNO5 and CAS number 71283-80-2. This chiral molecule has a molecular weight of 361.8 g/mol and features a complex structure containing benzoxazole, phenoxy, and propanoate functional groups. It is classified as a hazardous substance requiring 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 an organic solid compound with a molecular weight of 361.8 g/mol. The presence of the ethyl ester group and aromatic rings suggests moderate lipophilicity and limited water solubility. The compound contains a chlorine atom and multiple ether linkages, which influence its chemical stability and reactivity. Specific physical properties like melting point and solubility data should be confirmed through technical documentation.

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. Its complex benzoxazole structure makes it valuable for developing herbicides, fungicides, or pharmaceutical active ingredients. The compound serves as a building block in organic synthesis processes requiring specific stereochemistry and functional group arrangements. Industrial applications typically involve controlled manufacturing environments due to its hazardous classification.

How should ethyl (2R)-2-[4-[(6-chloro-1,3-benzoxazol-2-yl)oxy]phenoxy]propanoate be handled safely?

Ethyl (2R)-2-[4-[(6-chloro-1,3-benzoxazol-2-yl)oxy]phenoxy]propanoate requires careful handling due to its skin sensitization potential and systemic toxicity. Wear appropriate personal protective equipment including chemical-resistant gloves, safety goggles, and protective clothing. Ensure adequate ventilation and avoid skin contact, inhalation, or ingestion. Handle in controlled areas away from heat sources and incompatible materials. Follow GHS warning label instructions and maintain emergency procedures for accidental exposure.

How should ethyl (2R)-2-[4-[(6-chloro-1,3-benzoxazol-2-yl)oxy]phenoxy]propanoate be stored correctly?

Ethyl (2R)-2-[4-[(6-chloro-1,3-benzoxazol-2-yl)oxy]phenoxy]propanoate should be stored in a cool, dry, well-ventilated area away from heat sources and direct sunlight. Use original containers with proper labeling and ensure compatibility with storage materials. Keep away from incompatible substances and moisture to prevent degradation. Implement appropriate containment measures to prevent environmental release given its aquatic toxicity classification. Regular inventory checks and proper segregation from other chemicals are essential.

What should be done in case of contact with ethyl (2R)-2-[4-[(6-chloro-1,3-benzoxazol-2-yl)oxy]phenoxy]propanoate?

In case of skin contact with ethyl (2R)-2-[4-[(6-chloro-1,3-benzoxazol-2-yl)oxy]phenoxy]propanoate, immediately remove contaminated clothing and wash the affected area thoroughly with soap and water for at least 15 minutes. For eye contact, rinse immediately with clean water for 15 minutes while holding eyelids open. If inhaled, move to fresh air immediately. Seek medical attention if irritation persists or symptoms develop, especially given the compound's skin sensitization properties. Do not induce vomiting if swallowed.

How should ethyl (2R)-2-[4-[(6-chloro-1,3-benzoxazol-2-yl)oxy]phenoxy]propanoate be disposed of appropriately?

Ethyl (2R)-2-[4-[(6-chloro-1,3-benzoxazol-2-yl)oxy]phenoxy]propanoate must be disposed of as hazardous waste through licensed waste management facilities due to its aquatic toxicity and health hazards. Do not discharge to sewers, waterways, or soil as it poses significant environmental risks. Contact authorized waste disposal companies familiar with handling toxic organic compounds. Follow local and EU waste regulations including proper waste classification codes. Contaminated packaging should also be treated as hazardous waste requiring specialized disposal procedures.

How should ethyl (2R)-2-[4-[(6-chloro-1,3-benzoxazol-2-yl)oxy]phenoxy]propanoate be transported?

Ethyl (2R)-2-[4-[(6-chloro-1,3-benzoxazol-2-yl)oxy]phenoxy]propanoate is classified as ADR Class 9 (Miscellaneous dangerous goods), Packing Group III for transportation purposes. This classification reflects its environmental hazard and health risks during transport. Use appropriate packaging that meets UN specification requirements and ensure proper labeling with hazard placards. Transport documentation must include the correct shipping name and identification numbers. Carriers must be trained in handling hazardous materials and equipped for emergency response procedures.

Is ethyl (2R)-2-[4-[(6-chloro-1,3-benzoxazol-2-yl)oxy]phenoxy]propanoate subject to specific regulations?

Ethyl (2R)-2-[4-[(6-chloro-1,3-benzoxazol-2-yl)oxy]phenoxy]propanoate is subject to REACH regulation requiring registration for import/manufacture above tonnage thresholds in the EU. The compound falls under CLP regulation for classification and labeling as STOT RE 2, Skin Sens. 1, and Aquatic toxicity categories. While not currently listed as SVHC, its hazardous properties require compliance with occupational safety directives and environmental protection measures. Users must maintain safety data sheets and implement appropriate risk management measures.

Where can I buy ethyl (2R)-2-[4-[(6-chloro-1,3-benzoxazol-2-yl)oxy]phenoxy]propanoate in Europe?

Ethyl (2R)-2-[4-[(6-chloro-1,3-benzoxazol-2-yl)oxy]phenoxy]propanoate is available through OYSI, a specialized European distributor of technical chemicals and intermediates. OYSI provides this compound to qualified industrial customers with appropriate handling capabilities and regulatory compliance. As a controlled substance requiring specialized handling, purchase is typically restricted to professional users in pharmaceutical, agrochemical, or research applications. Contact OYSI directly for availability, specifications, and compliance documentation required for your specific application.

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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.

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Data Sources

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