Potassium 2,4,5-trichlorophenoxyacetate - ≥98% , CAS No.37785-57-2

CAS: 37785-57-2 Cat. No.: P344363 Molecular Weight: 293.57 EC Number: 253-667-7 PubChem CID: 23684557

GRADE & PURITY ≥98%

Synonyms

EINECS 253-667-7 | 2,4,5-Trichlorophenoxyacetc acid potassium salt | potassium 2-(2,4,5-trichlorophenoxy)acetate | 2,4,5-TRICHLOROPHENOXYACETICACIDPOTASSIUMSALT | SCHEMBL1885275 | MFCD00191590 | Potassium 2,4,5-trichlorophenoxyacetate | T1509 | 2,4,5-Tric

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

EINECS 253-667-7 | 2, 4, 5-Trichlorophenoxyacetc acid potassium salt | potassium 2-(2, 4, 5-trichlorophenoxy)acetate | 2, 4, 5-TRICHLOROPHENOXYACETICACIDPOTASSIUMSALT | SCHEMBL1885275 | MFCD00191590 | Potassium 2, 4, 5-trichlorophenoxyacetate | T1509 | 2, 4, 5-Tric

Specifications & Purity

≥98%

Storage

Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488200521
• Canonical Smiles: C1=C(C(=CC(=C1Cl)Cl)Cl)OCC(=O)[O-].[K+]
• IUPAC Name: potassium;2-(2,4,5-trichlorophenoxy)acetate
• InChIKey: LUDUIQAQFKIYND-UHFFFAOYSA-M
• INCHI: 1S/C8H5Cl3O3.K/c9-4-1-6(11)7(2-5(4)10)14-3-8(12)13;/h1-2H,3H2,(H,12,13);/q;+1/p-1
• Isomeric SMILES: C1=C(C(=CC(=C1Cl)Cl)Cl)OCC(=O)[O-].[K+]
• PubChem CID: 23684557
• Molecular Weight: 293.57

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Phenoxyacetic acid derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenoxyacetic acid derivatives
• Alternative Parents: Phenoxy compounds Phenol ethers Chlorobenzenes Alkyl aryl ethers Aryl chlorides Carboxylic acid salts Organic metal halides Monocarboxylic acids and derivatives Carboxylic acids Organochlorides Organic potassium salts Organic oxides Hydrocarbon derivatives Carbonyl compounds Organic cations
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenoxyacetate - Phenoxy compound - Phenol ether - Alkyl aryl ether - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Carboxylic acid salt - Organic metal halide - Organic alkali metal salt - Carboxylic acid derivative - Carboxylic acid - Ether - Monocarboxylic acid or derivatives - Organic oxygen compound - Organic oxide - Organohalogen compound - Organochloride - Organooxygen compound - Organic salt - Organic potassium salt - Carbonyl group - Hydrocarbon derivative - Organic cation - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as phenoxyacetic acid derivatives. These are compounds containing an anisole where the methane group is linked to an acetic acid or a derivative.
• 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

• Molecular Weight: 293.600 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 291.886 Da
• Monoisotopic Mass: 291.886 Da
• Topological Polar Surface Area: 49.400 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 217.000
• 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: 2

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