Propaquizafop (Standard) , CAS No.111479-05-1

CAS: 111479-05-1 Cat. No.: P1440164 Molecular Weight: 443.88 EC Number: 601-099-9 PubChem CID: 16213016

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Propaquizafop (Standard) is the analytical standard of Propaquizafop. This product is intended for research and analytical applications. Propaquizafop is a phenoxyisopropionic acid herbicide and an acetyl-coA carboxylase inhibitor.

Specifications

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Names and Identifiers

• Canonical Smiles: CC(C(=O)OCCON=C(C)C)OC1=CC=C(C=C1)OC2=CN=C3C=C(C=CC3=N2)Cl
• IUPAC Name: 2-(propan-2-ylideneamino)oxyethyl (2R)-2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]propanoate
• InChIKey: FROBCXTULYFHEJ-OAHLLOKOSA-N
• INCHI: 1S/C22H22ClN3O5/c1-14(2)26-29-11-10-28-22(27)15(3)30-17-5-7-18(8-6-17)31-21-13-24-20-12-16(23)4-9-19(20)25-21/h4-9,12-13,15H,10-11H2,1-3H3/t15-/m1/s1
• Isomeric SMILES: C[C@H](C(=O)OCCON=C(C)C)OC1=CC=C(C=C1)OC2=CN=C3C=C(C=CC3=N2)Cl
• WGK Germany: 2
• RTECS: UA2458258
• PubChem CID: 16213016
• Molecular Weight: 443.88

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 Oxime ethers Carboxylic acid esters Azacyclic compounds Monocarboxylic acids and derivatives Organic oxides Organochlorides Organopnictogen compounds Carbonyl compounds Hydrocarbon derivatives
• 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 - Oxime ether - Carboxylic acid ester - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Ether - Monocarboxylic acid or derivatives - Organopnictogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organic nitrogen compound - Organooxygen compound - Carbonyl group - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - 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: Phenoxy herbicides

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

Chemical and Physical Properties

• Flash Point(°F): >100 °C
• Flash Point(°C): >100°C