Cloxyfonac - ≥95% , CAS No.6386-63-6

CAS: 6386-63-6 Cat. No.: C693774 Summenformel: C₉H₉ClO₄ Molekulargewicht: 216.62 EG-Nummer: 228-987-5

GRADE & PURITY ≥95%

Synonyms

[4-chloro-2-(hydroxymethyl)phenoxy]acetic acid | 2-[4-Chloro-2-(hydroxymethyl)phenoxy]acetic acid | 4-Chloro-α-hydroxy-o-tolyloxy acetic acid | 2-(4-Chloro-2-(hydroxymethyl)phenoxy)acetic acid

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Übersicht

Cloxyfonac is a plant growth regulator and a pesticide agent.

Specifications

Synonyme

[4-chloro-2-(hydroxymethyl)phenoxy]acetic acid | 2-[4-Chloro-2-(hydroxymethyl)phenoxy]acetic acid | 4-Chloro-α-hydroxy-o-tolyloxy acetic acid | 2-(4-Chloro-2-(hydroxymethyl)phenoxy)acetic acid

Spezifikationen & Reinheit

≥95%

Storage

Store at -20°C

Verschickt in

Ice chest + Ice pads

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥95%

Namen und Kennungen

• Pubchem Sid: 528771675
• Kanonisches Lächeln: C1=CC(=C(C=C1Cl)CO)OCC(=O)O
• IUPAC Name: 2-[4-chloro-2-(hydroxymethyl)phenoxy]acetic acid
• InChIKey: ZJRUTGDCLVIVRD-UHFFFAOYSA-N
• INCHI: 1S/C9H9ClO4/c10-7-1-2-8(6(3-7)4-11)14-5-9(12)13/h1-3,11H,4-5H2,(H,12,13)
• Isomere SMILES: C1=CC(=C(C=C1Cl)CO)OCC(=O)O
• Alternative CAS-Nummer: 6386-63-6
• Molekulargewicht: 216.62

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Phenoxyacetic acid derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Chlorophenoxyacetates
• Alternative Parents: Phenoxy compounds Phenol ethers Benzyl alcohols Chlorobenzenes Alkyl aryl ethers Aryl chlorides Monocarboxylic acids and derivatives Carboxylic acids Primary alcohols Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Aromatic alcohols
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Chlorophenoxyacetate - Phenoxy compound - Benzyl alcohol - Phenol ether - Alkyl aryl ether - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Carboxylic acid derivative - Carboxylic acid - Ether - Monocarboxylic acid or derivatives - Alcohol - Organohalogen compound - Organochloride - Organooxygen compound - Primary alcohol - Carbonyl group - Aromatic alcohol - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic homomonocyclic compound
• Beschreibung: 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: 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

Zugehörige Ziele (menschlich)

EHMT2 Tchem Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 (93046 Activities)

Discover Target: EHMT2

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Zugehörige Ziele (nicht menschlich)

ampC Beta-lactamase AmpC (62480 Activities)

Discover Target: ampC

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Plasmodium falciparum (966862 Activities)

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Mapt Microtubule-associated protein tau (6 Activities)

Discover Target: Mapt

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Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: DMSO: 125 mg/mL (577.05 mM)
• Schmelzpunkt (°C): 140-143 °C
• Molekulargewicht: 216.620 g/mol
• XLogP3: 1.200
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 216.019 Da
• Monoisotopic Mass: 216.019 Da
• Topological Polar Surface Area: 66.800 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 197.000
• 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