≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature,Desiccated Ships Normal Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 2 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | CC(C(=O)OCC#C)OC1=CC=C(C=C1)OC2=C(C=C(C=N2)Cl)F |
|---|---|
| IUPAC Name | prop-2-ynyl (2R)-2-[4-(5-chloro-3-fluoropyridin-2-yl)oxyphenoxy]propanoate |
| InChIKey | JBDHZKLJNAIJNC-LLVKDONJSA-N |
| 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 |
| Isomeric SMILES | C[C@H](C(=O)OCC#C)OC1=CC=C(C=C1)OC2=C(C=C(C=N2)Cl)F |
| WGK Germany | 3 |
| PubChem CID | 92431 |
| UN Number | 3077 |
| Molecular Weight | 349.74 |
| Beilstein | 8857008 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | 2-phenoxypropionic acid esters |
| Intermediate Tree Nodes | Not available |
| Direct Parent | 2-phenoxypropionic acid esters |
| Alternative Parents | Phenoxyacetic acid derivatives Diarylethers Polyhalopyridines Phenoxy compounds Phenol ethers Alkyl aryl ethers Aryl chlorides Aryl fluorides Heteroaromatic compounds Carboxylic acid esters Acetylides Azacyclic compounds Monocarboxylic acids and derivatives Hydrocarbon derivatives Carbonyl compounds Organic oxides Organochlorides Organofluorides Organonitrogen compounds Organopnictogen compounds |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | 2-phenoxypropionic acid ester - Diaryl ether - Phenoxyacetate - Phenoxy compound - Phenol ether - Polyhalopyridine - Alkyl aryl ether - Aryl chloride - Aryl fluoride - Aryl halide - Pyridine - Heteroaromatic compound - Carboxylic acid ester - Organoheterocyclic compound - Acetylide - Carboxylic acid derivative - Ether - Monocarboxylic acid or derivatives - Azacycle - Organohalogen compound - Organopnictogen compound - Organic oxide - Organic nitrogen compound - Organic oxygen compound - Organochloride - Organofluoride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Carbonyl group - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as 2-phenoxypropionic acid esters. These are aromatic compounds hat contain a phenol ether attached to the C2-atom of a phenylpropionic acid ester. |
| External Descriptors | Not available |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 I2509887 | Certificate of Analysis | Jun 23, 2025 | C770250 |
| I2509888 | Certificate of Analysis | Jun 23, 2025 | C770250 |
| I2509889 | Certificate of Analysis | Jun 23, 2025 | C770250 |
| I2509890 | Certificate of Analysis | Jun 23, 2025 | C770250 |
| Molecular Weight | 349.700 g/mol |
|---|---|
| XLogP3 | 3.900 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 7 |
| Exact Mass | 349.052 Da |
| Monoisotopic Mass | 349.052 Da |
| Topological Polar Surface Area | 57.700 Ų |
| Heavy Atom Count | 24 |
| Formal Charge | 0 |
| Complexity | 461.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 1 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
| 1. Zhang Hui, Li Mengya, Li Jie, Wang Guangli, Liu Yuan. (2017) Purification and properties of a novel quizalofop-p-ethyl-hydrolyzing esterase involved in quizalofop-p-ethyl degradation by Pseudomonas sp. J-2. Microbial Cell Factories, 16 (1): (1-10). [PMID:28490371] [10.1186/s12934-017-0695-8] |
| 2. Hui Zhang, Mengya Li, Jie Li, Guangli Wang, Feng Li, Dayong Xu, Yuan Liu, Minghua Xiong. (2016) A key esterase required for the mineralization of quizalofop-p-ethyl by a natural consortium of Rhodococcus sp. JT-3 and Brevundimonas sp. JT-9. JOURNAL OF HAZARDOUS MATERIALS, [PMID:28027504] [10.1016/j.jhazmat.2016.12.038] |
