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

CAS: 122-88-3 Cat. No.: C102890 Peso molecular: 186.59 Número EC: 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

Desiccated,Room temperature

Shipped In

Normal

Descripción general

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

Especificaciones y pureza

≥98%

Mecanismos bioquímicos y fisiológicos

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

Condiciones de almacenamiento de almacenamiento

Desiccated, Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: 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)
• Isómeros SMILES: C1=CC(=CC=C1OCC(=O)O)Cl
• WGK Alemania: 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
    • Clase Benzene and substituted derivatives
      • Subclass Phenoxyacetic acid derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: 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
• Descripción: 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 acción

Propiedades químicas y físicas

• Solubilidad: Solubility in Methanol almost transparency
• Sensibilidad: Moisture sensitive
• Punto de fusión (°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

Referencias

1. Wanwan Wang, Haiyun Rui, Lei Yu, Nuo Jin, Wan Liu, Chen Guo, Yumeng Cheng, Yonggen Lou.  (2023)  Four-Chlorophenoxyacetic Acid Treatment Induces the Defense Resistance of Rice to White-Backed Planthopper Sogatella furcifera.  INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES,  24  (21): (15722).  [PMID:37958711] [10.3390/ijms242115722]

2. Yifei Zhou, Qiuxiao Wang, Tao Wang, Haixiang Gao.  (2022)  Preparation and properties of multifunctional phenoxyacetate-based ionic liquids and their application in citrus bacteriostatic preservation.  NEW JOURNAL OF CHEMISTRY,  46  (47): (22621-22632).  [PMID:] [10.1039/D2NJ03461A]

3. Hailan Qin, Jingyu Sun, Dongsheng Xia, Haiming Xu, Qilin Yu, Yi Zheng, Yintao Shi.  (2022)  Boosting nonradical process in BiOI/BiOCl heterostructure by interface oxygen vacancies.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2022.134847]

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19. Mingwei Wang, Yanan Yuan, Yehong Han, Fengxia Qiao, Jinliang Li, Hongyuan Yan.  (2024)  Two-dimensional hydrophilic imprinted resin–graphene oxide composite for selective extraction and rapid determination of gibberellin traces in licorice samples.  FOOD CHEMISTRY,      [PMID:38733687] [10.1016/j.foodchem.2024.139553]

20. Xin-Qiao He, Yuan-Yuan Cui, Cheng-Xiong Yang.  (2020)  Engineering of amino microporous organic network on zeolitic imidazolate framework-67 derived nitrogen-doped carbon for efficient magnetic extraction of plant growth regulators.  TALANTA,      [PMID:33379085] [10.1016/j.talanta.2020.121876]