Ethyl 2-{4-[(6-chloro-1,3-benzoxazol-2-yl)oxy]phenoxy}propanoate

Basic Information

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CAS Number

66441-23-4

Molecular Formula

C18H16ClNO5

Molecular Weight

361.78 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

84-85°

Boiling Point

bp 200° at 100 Pa

Density

1.2523 (rough estimate)

Refractive Index

1.6500 (estimate)

SMILES

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CCOC(=O)C(C)OC1=CC=C(OC2=NC3=C(O2)C=C(Cl)C=C3)C=C1

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

InChIKey

PQKBPHSEKWERTG-UHFFFAOYSA-N

LogP

4.603900000000004

Topological Polar Surface Area

70.79 Å²

Hydrogen Bond Donor/Acceptor

0 / 6

Complexity

443

Safety Information

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GHS Hazard Pictograms

H317

H410

Hazard Statement

H317 May cause an allergic skin reaction
Sensitization, Skin

H410 Very toxic to aquatic life with long lasting effects
Hazardous to the aquatic environment, long-term hazard

Toxicity

LD50 in male, female rats (mg/kg): 2357, 2500 orally; 739, 864 i.p. (Bieringer)

Synonyms & References

English

Fenoxaprop-ethyl
Fenoxapropethyl
Fenoxapropethyl Solution
ethyl (RS)-2-[4-(6-chloro-1,3-benzoxazol-2-yloxy)phenoxy]propionate
ethyl (RS)-2-[4-(6-chlorobenzoxazol-2-yloxy)phenoxy]propionate
ethyl 2-[4-[(6-chloro-2-benzoxazolyl)oxy]phenoxy]propanoate
Ethyl 2-{4-[(6-chlorobenzoxazol-2-yl)oxy]phenoxy}propionate
rac-ethyl (2R)-2-{4-[(6-chloro-1,3-benzoxazol-2-yl)oxy]phenoxy}propanoate
2-[4-[(6-chloro-2-benzoxazolyl)oxy]phenoxy]-, ethyl ester
(±)-Propanoic acid Ethyl-2-[4-(6-chloro-2-benzoxazolyloxy) phenoxy] propionate
propanoic acid, 2-(4-((6-chloro-2-benzoxazolyl)oxy)phenoxy)-, ethyl ester, (+-)
(+、-)-2-(4-((6-chloro-2-benzoxazolyl)oxy)phenoxy) propanoic acid ethyl ester
acclaim
depon
Ethyl 2-[4-[(6-chlorobenzoxazol-2-yl)oxy]phenoxy]propionate

MDL Number

MFCD01574785

Customs Code

2934999023

FAQ

What regulatory guidelines apply to Ethyl 2-{4-[(6-chloro-1,3-benzoxazol-2-yl)oxy]phenoxy}propanoate (CAS: 66441-23-4)?

Ethyl 2-{4-[(6-chloro-1,3-benzoxazol-2-yl)oxy]phenoxy}propanoate (CAS: 66441-23-4) is subject to regulatory guidelines under the Globally Harmonized System of Classification and Labelling of Chemicals (GHS), REACH regulations in the European Union, and requirements from the U.S. Food and Drug Administration (FDA) and Environmental Protection Agency (EPA). Compliance with these guidelines ensures safe handling, storage, and disposal of the compound.

Are there alternatives to Ethyl 2-{4-[(6-chloro-1,3-benzoxazol-2-yl)oxy]phenoxy}propanoate in synthesis?

Alternatives to Ethyl 2-{4-[(6-chloro-1,3-benzoxazol-2-yl)oxy]phenoxy}propanoate in synthesis include other benzoxazole derivatives or phenol esters. Common alternative reagents and other substitute solutions include various chloro-substituted benzoxazoles and alternative esterification reagents, which can be chosen based on the specific application and desired chemical properties.

What is the market or research trend for Ethyl 2-{4-[(6-chloro-1,3-benzoxazol-2-yl)oxy]phenoxy}propanoate (CAS: 66441-23-4)?

The market for Ethyl 2-{4-[(6-chloro-1,3-benzoxazol-2-yl)oxy]phenoxy}propanoate (CAS: 66441-23-4) is driven by its applications in pharmaceuticals and agrochemicals. Research trends focus on its potential as a herbicide and fungicide component, with ongoing studies exploring its efficacy and safety. Market dynamics indicate increasing demand due to its unique chemical properties and expanding research fields.

How should waste containing Ethyl 2-{4-[(6-chloro-1,3-benzoxazol-2-yl)oxy]phenoxy}propanoate (CAS: 66441-23-4) be handled?

Waste containing Ethyl 2-{4-[(6-chloro-1,3-benzoxazol-2-yl)oxy]phenoxy}propanoate (CAS: 66441-23-4) should be collected and disposed of according to local regulations. Waste liquid can be neutralized and then incinerated or disposed of in a professional waste disposal facility. Environmental protection precautions include proper containment to prevent leaching and handling according to GHS guidelines to ensure safety during transport and disposal.