Quizalofop-p-ethyl - analytical standard , CAS No.100646-51-3

CAS: 100646-51-3 Cat. No.: Q110303 Molecular Weight: 372.8 EC Number: 600-119-3 PubChem CID: 1617113

GRADE & PURITY Analytical standard

Synonyms

NCI-861094 | Quizalofop-P-ethyl [ISO] | Targa D | DTXSID0034857 | Propanoic acid, 2-[4-[(6-chloro-2-quinoxalinyl)oxy]phenoxy]-, ethyl ester, (2R)- | Quizalofop-P-ethyl 100 microg/mL in Acetonitrile | Propanoic acid, 2-(4-((6-chloro-2-quinoxalinyl)oxy)phen

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

NCI-861094 | Quizalofop-P-ethyl [ISO] | Targa D | DTXSID0034857 | Propanoic acid, 2-[4-[(6-chloro-2-quinoxalinyl)oxy]phenoxy]-, ethyl ester, (2R)- | Quizalofop-P-ethyl 100 microg/mL in Acetonitrile | Propanoic acid, 2-(4-((6-chloro-2-quinoxalinyl)oxy)phen

Specifications & Purity

analytical standard

Storage

Room temperature

Shipped In

Normal

Grade

Analytical standard

Names and Identifiers

• Canonical Smiles: CCOC(=O)C(C)OC1=CC=C(C=C1)OC2=CN=C3C=C(C=CC3=N2)Cl
• IUPAC Name: ethyl (2R)-2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]propanoate
• InChIKey: OSUHJPCHFDQAIT-GFCCVEGCSA-N
• INCHI: 1S/C19H17ClN2O4/c1-3-24-19(23)12(2)25-14-5-7-15(8-6-14)26-18-11-21-17-10-13(20)4-9-16(17)22-18/h4-12H,3H2,1-2H3/t12-/m1/s1
• Isomeric SMILES: CCOC(=O)[C@@H](C)OC1=CC=C(C=C1)OC2=CN=C3C=C(C=CC3=N2)Cl
• WGK Germany: 3
• RTECS: UA2458257
• PubChem CID: 1617113
• UN Number: 3077
• Molecular Weight: 372.8

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass 2-phenoxypropionic acid esters

• 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 Quinoxalines Phenoxy compounds Phenol ethers Alkyl aryl ethers Pyrazines Aryl chlorides Heteroaromatic compounds Carboxylic acid esters Azacyclic compounds Monocarboxylic acids and derivatives Hydrocarbon derivatives Organic oxides Organochlorides Organopnictogen compounds Carbonyl compounds Organonitrogen compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 2-phenoxypropionic acid ester - Diaryl ether - Phenoxyacetate - Diazanaphthalene - Quinoxaline - Phenol ether - Phenoxy compound - Alkyl aryl ether - Aryl chloride - Aryl halide - Pyrazine - Heteroaromatic compound - Carboxylic acid ester - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Ether - Monocarboxylic acid or derivatives - Organohalogen compound - Carbonyl group - Organopnictogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organochloride - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Aromatic heteropolycyclic 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

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Associated Targets(non-human)

Brassica napus (1186 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Digitaria sanguinalis (1594 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Alopecurus japonicus (18 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Flash Point(°F): >100 °C
• Flash Point(°C): >100°C
• Molecular Weight: 372.800 g/mol
• XLogP3: 4.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 7
• Exact Mass: 372.088 Da
• Monoisotopic Mass: 372.088 Da
• Topological Polar Surface Area: 70.500 Ų
• Heavy Atom Count: 26
• Formal Charge: 0
• Complexity: 459.000
• 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

References

1. Guofeng Chang, Hui Xue, Jichao Ji, Li Wang, Xiangzhen Zhu, Kaixin Zhang, Dongyang Li, Xueke Gao, Lin Niu, Mengxue Gao, Junyu Luo, Jinjie Cui.  (2023)  Risk assessment of predatory lady beetle Propylea japonica's multi-generational exposure to three non-insecticidal agrochemicals.  SCIENCE OF THE TOTAL ENVIRONMENT,      [PMID:37156379] [10.1016/j.scitotenv.2023.163931]

2. Mengya Li, Lei Li, Yue Sun, Hengyan Ma, Hui Zhang, Feng Li.  (2022)  Facile synthesis of dual-hydrolase encapsulated magnetic ZIF-8 composite for efficient removal of multi-pesticides induced pollution in water.  CHEMOSPHERE,      [PMID:36584821] [10.1016/j.chemosphere.2022.137673]

3. Qing Zhou, Xu Zhang, Junxing Huang.  (2019)  Relationship between enantioselective transformation of racemic quizalofop-ethyl and soil bacterial diversity: A destructive approach.  CHIRALITY,  31  (9): (700-710).  [PMID:31298441] [10.1002/chir.23087]

4. Xinyun Xu, Jiahao Wang, Ting Yu, Haohan Nian, Hui Zhang, Guangli Wang, Feng Li.  (2019)  Characterization of a novel aryloxyphenoxypropionate herbicide-hydrolyzing carboxylesterase with R-enantiomer preference from Brevundimonas sp. QPT-2.  PROCESS BIOCHEMISTRY,      [PMID:] [10.1016/j.procbio.2019.03.013]

5. 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]

6. Yingying Qian, Houyu Yu, Qihuan He, Dandan Fan, Gerben J. Zylstra, Hancheng Wang, Xing Huang.  (2025)  A Novel Trifunctional Hydrolase Cleaving C−O, C−N, and C−C Bonds and Its Widespread Distribution in Proteobacteria and Actinobacteria.  JOURNAL OF HAZARDOUS MATERIALS,      [PMID:40555018] [10.1016/j.jhazmat.2025.139002]

7. Yufei Zhao, Xu Yang, Qiang Hu, Jie Zhang, Sumei Wan, Wen Chen.  (2025)  Reliable RT-qPCR Normalization in Polypogon fugax: Reference Gene Selection for Multi-Stress Conditions and ACCase Expression Analysis in Herbicide Resistance.  Agronomy-Basel,  15  (8): (1813).  [PMID:] [10.3390/agronomy15081813]