Diclosulam - ≥95% , CAS No.145701-21-9

CAS: 145701-21-9 Cat. No.: D331158 Molecular Weight: 406.22 EC Number: 604-487-6

GRADE & PURITY ≥95%

Synonyms

Diclosulam [ISO] | 2',6'-DICHLORO-5-ETHOXY-7-FLUORO(1,2,4)TRIAZOLO(1,5-C)PYRIMIDINE-2-SULFONANILIDE | XDE-564 | NCGC00163839-02 | CAS-145701-21-9 | N-(2,6-Dichlorophenyl)-5-ethoxy-7-fluoro-(1,2,4)triazolo(1,5-c)pyrimidine-2-sulfonamide | N-(2,6-dichloroph

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Overview

Diclosulam is used as a broadleaf herbicide that is used to control weeds in soybean and peanut crops. Diclosulam is applied either preplant or preemergence in order to maintain maximum control of weed growth.

Specifications

Synonyms

Diclosulam [ISO] | 2', 6'-DICHLORO-5-ETHOXY-7-FLUORO(1, 2, 4)TRIAZOLO(1, 5-C)PYRIMIDINE-2-SULFONANILIDE | XDE-564 | NCGC00163839-02 | CAS-145701-21-9 | N-(2, 6-Dichlorophenyl)-5-ethoxy-7-fluoro-(1, 2, 4)triazolo(1, 5-c)pyrimidine-2-sulfonamide | N-(2, 6-dichloroph

Specifications & Purity

≥95%

Storage

Store at -20°C, Argon charged

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥95%

Names and Identifiers

• Canonical Smiles: CCOC1=NC(=CC2=NC(=NN21)S(=O)(=O)NC3=C(C=CC=C3Cl)Cl)F
• IUPAC Name: N-(2,6-dichlorophenyl)-5-ethoxy-7-fluoro-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide
• InChIKey: QNXAVFXEJCPCJO-UHFFFAOYSA-N
• INCHI: 1S/C13H10Cl2FN5O3S/c1-2-24-13-17-9(16)6-10-18-12(19-21(10)13)25(22,23)20-11-7(14)4-3-5-8(11)15/h3-6,20H,2H2,1H3
• Isomeric SMILES: CCOC1=NC(=CC2=NC(=NN21)S(=O)(=O)NC3=C(C=CC=C3Cl)Cl)F
• Molecular Weight: 406.22
• Reaxy-Rn: 8863101
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8863101&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Sulfanilides
• Intermediate Tree Nodes: Not available
• Direct Parent: Sulfanilides
• Alternative Parents: Triazolopyrimidines Dichlorobenzenes Alkyl aryl ethers Halopyrimidines Organosulfonamides Aryl chlorides Aryl fluorides Triazoles Aminosulfonyl compounds Heteroaromatic compounds Azacyclic compounds Hydrocarbon derivatives Organic oxides Organochlorides Organofluorides Organonitrogen compounds Organopnictogen compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Sulfanilide - Triazolopyrimidine - 1,3-dichlorobenzene - Alkyl aryl ether - Chlorobenzene - Halobenzene - Halopyrimidine - Aryl chloride - Aryl fluoride - Aryl halide - Pyrimidine - Organosulfonic acid amide - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Heteroaromatic compound - Aminosulfonyl compound - 1,2,4-triazole - Triazole - Azole - Organoheterocyclic compound - Azacycle - Ether - Organic nitrogen compound - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organochloride - Organopnictogen compound - Organic oxygen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as sulfanilides. These are organic aromatic compounds containing a sulfanilide moiety, with the general structure RS(=O)(=O)NC1=CC=CC=C1.
• External Descriptors: Anilide 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

Associated Targets(Human)

PPARG Tclin Peroxisome proliferator-activated receptor gamma (15191 Activities)

Discover Target: PPARG

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Acetone (Slightly), DMSO (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly)
• Sensitivity: Moisture sensitive.
• Melt Point(°C): 218-221° C
• Molecular Weight: 406.200 g/mol
• XLogP3: 3.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 5
• Exact Mass: 404.987 Da
• Monoisotopic Mass: 404.987 Da
• Topological Polar Surface Area: 107.000 Ų
• Heavy Atom Count: 25
• Formal Charge: 0
• Complexity: 558.000
• 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