Cyhalofop acid - Moligand™,≥96% , CAS No.122008-78-0

CAS: 122008-78-0 Cat. No.: C648586 Molecular Weight: 301.27 EC Number: 808-439-7 PubChem CID: 15118048

GRADE & PURITY Moligand™, ≥96%

Synonyms

Propanoic acid, 2-(4-(4-cyano-2-fluorophenoxy)phenoxy)-, (R)- | Q27261536 | (R)-2-(4-(4-Cyano-2-fluorophenoxy)phenoxy)propanoic acid | 2-(4-(4-CYANO-2-FLUOROPHENOXY)PHENOXY)-,(R)-PROPANOIC ACID | MFCD28015762 | AKOS027282637 | RCF | Propanoic acid, 2-[4-(

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Cyhalofop (Cyhalofop acid), the primary metabolite of Cyhalofop-butyl in susceptible grasses, is the herbicidally active metabolite. Cyhalofop-butyl is an aryloxyphenoxypropionate post-emergence herbicide widely used around the world in agriculture.

Form:Solid

Specifications

Synonyms

Propanoic acid, 2-(4-(4-cyano-2-fluorophenoxy)phenoxy)-, (R)- | Q27261536 | (R)-2-(4-(4-Cyano-2-fluorophenoxy)phenoxy)propanoic acid | 2-(4-(4-CYANO-2-FLUOROPHENOXY)PHENOXY)-, (R)-PROPANOIC ACID | MFCD28015762 | AKOS027282637 | RCF | Propanoic acid, 2-[4-(

Specifications & Purity

Moligand™, ≥96%

Biochemical and Physiological Mechanisms

Cyhalofop (Cyhalofop acid), the primary metabolite of Cyhalofop-butyl ( HY-B0861 ) in susceptible grasses, is the herbicidally active metabolite. Cyhalofop-butyl is an aryloxyphenoxypropionate post-emergence herbicide widely used around the world in agric

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.

Grade

Moligand™

Purity

≥96%

Names and Identifiers

• Canonical Smiles: CC(C(=O)O)OC1=CC=C(C=C1)OC2=C(C=C(C=C2)C#N)F
• IUPAC Name: (2R)-2-[4-(4-cyano-2-fluorophenoxy)phenoxy]propanoic acid
• InChIKey: ROBSGBGTWRRYSK-SNVBAGLBSA-N
• INCHI: 1S/C16H12FNO4/c1-10(16(19)20)21-12-3-5-13(6-4-12)22-15-7-2-11(9-18)8-14(15)17/h2-8,10H,1H3,(H,19,20)/t10-/m1/s1
• Isomeric SMILES: C[C@H](C(=O)O)OC1=CC=C(C=C1)OC2=C(C=C(C=C2)C#N)F
• Alternate CAS: 122008-78-0
• PubChem CID: 15118048
• Molecular Weight: 301.27

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: 2-phenoxypropionic acids
• Intermediate Tree Nodes: Not available
• Direct Parent: Aryloxyphenoxypropionic acids
• Alternative Parents: Diphenylethers Phenoxyacetic acid derivatives Diarylethers Phenoxy compounds Phenol ethers Benzonitriles Alkyl aryl ethers Fluorobenzenes Aryl fluorides Nitriles Monocarboxylic acids and derivatives Carboxylic acids Carbonyl compounds Hydrocarbon derivatives Organic oxides Organofluorides
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Aryloxyphenoxypropionic acid - Diphenylether - Diaryl ether - Phenoxyacetate - Phenoxy compound - Benzonitrile - Phenol ether - Alkyl aryl ether - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Carboxylic acid derivative - Carboxylic acid - Ether - Monocarboxylic acid or derivatives - Carbonitrile - Nitrile - Organooxygen compound - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Organonitrogen compound - Cyanide - Organic oxide - Carbonyl group - Organohalogen compound - Organofluoride - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as aryloxyphenoxypropionic acids. These are aromatic compounds containing a phenoxypropionic acid that is para-substituted with an aryl group.
• 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

Chemical and Physical Properties

• Solubility: DMSO : ≥ 31 mg/mL (102.90 mM)
• Molecular Weight: 301.270 g/mol
• XLogP3: 3.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 5
• Exact Mass: 301.075 Da
• Monoisotopic Mass: 301.075 Da
• Topological Polar Surface Area: 79.600 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 427.000
• 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