4-Chlorophenoxyacetic acid - ≥98% , CAS No.122-88-3

CAS: 122-88-3 Cat. No.: C102890 Fórmula: C₈H₇ClO₃ Peso molecular: 186.59 Número CE: 204-581-3

GRADE & PURITY ≥98%

Synonyms

4-CHLOROPHENOXYACETIC ACID | 4-Chlorophenoxyacetic acid, BioReagent, plant cell culture tested, crystalline | A50588 | Tomato hold | Kyselina 4-chlorfenoxyoctova [Czech] | AC-10963 | Acetic acid, 2-(4-chlorophenoxy)- | AI3-30799 | AKOS000103793 | EINECS 2

Storage

Room temperature,Desiccated

Shipped In

Normal

Visão geral

4-Chlorophenoxyacetic acid is a herbicide. Degradation of 4-chlorophenoxyacetic acid in aqueous medium by advanced electrochemical oxidation processes, using an undivided cell containing a Pt anode has been reported

4-Chlorophenoxyacetic acid has been used in para-chlorophenoxyacetic acid (p-CPA) residue assay.

4-chlorophenoxy acetic acid (4-CPA), a chlorine derivative of phenoxyacetic acid (PA), is a plant growth regulator used as a herbicide.

Specifications

Sinónimos

4-CHLOROPHENOXYACETIC ACID | 4-Chlorophenoxyacetic acid, BioReagent, plant cell culture tested, crystalline | A50588 | Tomato hold | Kyselina 4-chlorfenoxyoctova [Czech] | AC-10963 | Acetic acid, 2-(4-chlorophenoxy)- | AI3-30799 | AKOS000103793 | EINECS 2

Especificações e pureza

≥98%

Mecanismos bioquímicos e fisiológicos

4-Chlorophenoxyacetic acid is a synthetic auxin, that is used to induce parthenocarpic ovary growth on flowers of wild type plants.

Condições de armazenamento de armazenamento

Room temperature,Desiccated

Enviado em

Normal

Pureza

≥98%

Nomes e identificadores

Pubchem Sid

528760486

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/528760486

Sorrisos canónicos

C1=CC(=CC=C1OCC(=O)O)Cl

IUPAC Name

2-(4-chlorophenoxy)acetic acid

InChIKey

SODPIMGUZLOIPE-UHFFFAOYSA-N

INCHI

1S/C8H7ClO3/c9-6-1-3-7(4-2-6)12-5-8(10)11/h1-4H,5H2,(H,10,11)

SMILES isoméricas

C1=CC(=CC=C1OCC(=O)O)Cl

WGK Alemanha

1

Peso molecular

186.59

Reaxy-Rn

1211804

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1211804&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Phenoxyacetic acid derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Phenoxyacetic acid derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Chlorophenoxyacetates
• Alternative Parents: Phenoxy compounds Phenol ethers Chlorobenzenes Alkyl aryl ethers Aryl chlorides Monocarboxylic acids and derivatives Carboxylic acids Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Chlorophenoxyacetate - Phenoxy compound - Phenol ether - Alkyl aryl ether - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Carboxylic acid derivative - Carboxylic acid - Ether - Monocarboxylic acid or derivatives - Organooxygen compound - Organic oxygen compound - Carbonyl group - Organic oxide - Organochloride - Hydrocarbon derivative - Organohalogen compound - Aromatic homomonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as chlorophenoxyacetates. These are compounds containing a phenoxyacetate that carries one or more chlorine atoms on the benzene ring.
• External Descriptors: Auxins

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

Mecanismos de ação

Propriedades químicas e físicas

• Solubilidade: Solubility in Methanol almost transparency
• Sensibilidade: Moisture sensitive
• Ponto de fusão (°C): 155-156°C
• Peso molecular: 186.590 g/mol
• XLogP3: 2.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 186.008 Da
• Monoisotopic Mass: 186.008 Da
• Topological Polar Surface Area: 46.500 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 152.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• 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