Diquat Dibromide monohydrate - analytical standard , CAS No.6385-62-2

CAS: 6385-62-2 Cat. No.: D101258 Formule: C₁₂H₁₂Br₂N₂· H₂O Poids moléculaire: 362.06 Beilstein Registry Number: 3769318 Numéro CE: 626-433-0

GRADE & PURITY Analytical standard

Synonyms

DTXCID5011248 | Q27282442 | Diquat dibromide monohydrate, PESTANAL(R), analytical standard | BDBM50153015 | Diquat (dibromide hydrate) | NCGC00255043-01 | UNII-KU81Z1B8QW | DTXSID7031248 | starbld0009567 | 3H-[1]Benzopyrano[3,4-b]pyrano[2,3-h][1]benzopyra

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Vue d’ensemble

Diquat dibromide hydrate is a diazine-like herbicide including two nitrogen atoms.

Specifications

Synonymes

DTXCID5011248 | Q27282442 | Diquat dibromide monohydrate, PESTANAL(R), analytical standard | BDBM50153015 | Diquat (dibromide hydrate) | NCGC00255043-01 | UNII-KU81Z1B8QW | DTXSID7031248 | starbld0009567 | 3H-[1]Benzopyrano[3,4-b]pyrano[2,3-h][1]benzopyra

Spécifications et pureté

analytical standard

Conditions de stockage de stockage

Store at 2-8°C,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

Étalon d'analyse

Noms et identifiants

• Pubchem Sid: 508813572
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/508813572
• Sourires canoniques: C1C[N+]2=CC=CC=C2C3=CC=CC=[N+]31.O.[Br-].[Br-]
• IUPAC Name: 7,10-diazoniatricyclo[8.4.0.02,7]tetradeca-1(14),2,4,6,10,12-hexaene;dibromide;hydrate
• InChIKey: KLJOSQAQZMLLMB-UHFFFAOYSA-L
• INCHI: 1S/C12H12N2.2BrH.H2O/c1-3-7-13-9-10-14-8-4-2-6-12(14)11(13)5-1;;;/h1-8H,9-10H2;2*1H;1H2/q+2;;;/p-2
• Isomères SMILES: C1C[N+]2=CC=CC=C2C3=CC=CC=[N+]31.O.[Br-].[Br-]
• WGK Allemagne: 3
• RTECS: JM5720000
• Poids moléculaire: 362.06
• Beilstein: 3769318
• Reaxy-Rn: 17835626
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=17835626&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 oxides Organic bromide salts Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Pyridinium - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - 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

Propriétés chimiques et physiques

• Sensibilité: Air sensitive；Moisture sensitive
• Point de fusion (°C): 320°C
• Poids moléculaire: 362.060 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 361.945 Da
• Monoisotopic Mass: 359.947 Da
• Topological Polar Surface Area: 8.800 Ų
• Heavy Atom Count: 17
• 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: 4

XLogP3

Foire aux questions

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 6385-62-2, the molecular formula is C12H12Br2N2· H2O, and the molecular weight is 362.06 g/mol. InChIKey KLJOSQAQZMLLMB-UHFFFAOYSA-L.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.