Diquat Dibromide - Moligand™, ≥98% , CAS No.85-00-7

CAS: 85-00-7 Cat. No.: D350633 Formule: C₁₂H₁₂Br₂N₂ Poids moléculaire: 344.05 Numéro CE: 201-579-4

GRADE & PURITY Moligand™, ≥98%

Synonyms

Reglox | Ortho-Diquat | Deiquat | 6,7-Dihydrodipyrido[1,2-a:2',1'-c]pyrazine-5,8-diium bromide | 6BDV3T272W | Ethylene dipyridylium dibromide | Aquacide | Diquat dibromide [ISO] | Detrone | Weedtrine-D | Preeglone | Reglon | Reglone

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Vue d’ensemble

Diquat dibromide is a comprehensive herbicide commonly used in the cultivation of cotton, soybeans, and other crops to combat unwanted weeds. Diquat dibromide has an IC50 of 60 mg/L in the Allium root growth inhibition test.

Specifications

Synonymes

Reglox | Ortho-Diquat | Deiquat | 6,7-Dihydrodipyrido[1,2-a:2',1'-c]pyrazine-5,8-diium bromide | 6BDV3T272W | Ethylene dipyridylium dibromide | Aquacide | Diquat dibromide [ISO] | Detrone | Weedtrine-D | Preeglone | Reglon | Reglone

Spécifications et pureté

Moligand™, ≥98%

Conditions de stockage de stockage

Store at 2-8°C,Protected from light,Argon charged

Expédié en

Wet ice

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Grade

Moligand™

Pureté

≥98%

Noms et identifiants

Pubchem Sid

528771948

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/528771948

Sourires canoniques

C1C[N+]2=CC=CC=C2C3=CC=CC=[N+]31.[Br-].[Br-]

IUPAC Name

7,10-diazoniatricyclo[8.4.0.02,7]tetradeca-1(14),2,4,6,10,12-hexaene;dibromide

InChIKey

ODPOAESBSUKMHD-UHFFFAOYSA-L

INCHI

1S/C12H12N2.2BrH/c1-3-7-13-9-10-14-8-4-2-6-12(14)11(13)5-1;;/h1-8H,9-10H2;2*1H/q+2;;/p-2

Isomères SMILES

C1C[N+]2=CC=CC=C2C3=CC=CC=[N+]31.[Br-].[Br-]

Numéro ONU

2781

Groupe d'emballage

I

Poids moléculaire

344.05

Reaxy-Rn

3769318

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3769318&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Pyridines and derivatives
      • Subclass Pyridinium derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Pyridines and derivatives
• Subclass: Pyridinium derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyridinium derivatives
• Alternative Parents: Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic bromide salts Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Pyridinium - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organic bromide salt - Organic salt - Organonitrogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as pyridinium derivatives. These are compounds containing a pyridinium ring, which is the cationic form of pyridine.
• 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

Cibles associées (humaines)

ESR1 Tclin Estrogen receptor alpha (17718 Activities)

Discover Target: ESR1

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TP53 Tchem Cellular tumor antigen p53 (48468 Activities)

Discover Target: TP53

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Cibles associées (non humaines)

GCN5 Histone acetyltransferase GCN5 (89 Activities)

Discover Target: GCN5

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

Nfe2l2 Nuclear factor erythroid 2-related factor 2 (214 Activities)

Discover Target: Nfe2l2

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Mécanismes d'action

Propriétés chimiques et physiques

• Sensibilité: Light sensitive；Moisture sensitive
• Poids moléculaire: 344.040 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 343.935 Da
• Monoisotopic Mass: 341.937 Da
• Topological Polar Surface Area: 7.800 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 182.000
• 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: 3

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