2,4,5-Trichlorophenoxyacetic acid solution - analytical standard, 100 ng/μL in acetonitrile, , CAS No.93-76-5

CAS: 93-76-5 Cat. No.: T137841 Summenformel: Cl₃C₆H₂OCH₂CO₂H Molekulargewicht: 255.48 EG-Nummer: 202-273-3

GRADE & PURITY Analytical standard, 100 ng/μL in acetonitrile,

Synonyms

Debroussaillant concentre | KBioSS_002374 | Reddox | SpecPlus_000468 | (2,4,5-Trichloor-fenoxy)-azijnzuur | AI3-14656 | Debroussaillant super concentre | KBio2_007506 | Acido (2,4,5-tricloro-fenossi)-acetico | MLS002207208 | BRN 2055620 | Ded-weed lv-6 br

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice,FedEx DG Service

Specifications

Synonyme

Debroussaillant concentre | KBioSS_002374 | Reddox | SpecPlus_000468 | (2,4,5-Trichloor-fenoxy)-azijnzuur | AI3-14656 | Debroussaillant super concentre | KBio2_007506 | Acido (2,4,5-tricloro-fenossi)-acetico | MLS002207208 | BRN 2055620 | Ded-weed lv-6 br

Spezifikationen & Reinheit

analytical standard, 100 ng/μL in acetonitrile,

Storage

Store at 2-8°C,Argon charged

Verschickt in

Wet ice,FedEx DG Service

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

Note

Analytischer Standard

Namen und Kennungen

• Pubchem Sid: 528755356
• Kanonisches Lächeln: C1=C(C(=CC(=C1Cl)Cl)Cl)OCC(=O)O
• IUPAC Name: 2-(2,4,5-trichlorophenoxy)acetic acid
• InChIKey: SMYMJHWAQXWPDB-UHFFFAOYSA-N
• INCHI: 1S/C8H5Cl3O3/c9-4-1-6(11)7(2-5(4)10)14-3-8(12)13/h1-2H,3H2,(H,12,13)
• Isomere SMILES: C1=C(C(=CC(=C1Cl)Cl)Cl)OCC(=O)O
• UN-Nummer: 1648
• Verpackungsgruppe: II
• Molekulargewicht: 255.48

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 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
• 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: Auxins - Phenoxy herbicides

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

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ABCC2 Tchem Canalicular multispecific organic anion transporter 1 (1191 Activities)

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SLCO1B1 Tchem Solute carrier organic anion transporter family member 1B1 (2672 Activities)

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Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Schmelzpunkt (°C): 154-158°C
• Molekulargewicht: 255.500 g/mol
• XLogP3: 3.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 253.93 Da
• Monoisotopic Mass: 253.93 Da
• Topological Polar Surface Area: 46.500 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 212.000
• 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