Sodium tetrakis(1-imidazolyl)borate - ≥97% , CAS No.68146-65-6

CAS: 68146-65-6 Cat. No.: S194574 Molecular Weight: 302.08 EC Number: 626-509-3 PubChem CID: 23681131

GRADE & PURITY ≥97%

Synonyms

Sodium tetrakis(1-imidazolyl)borate, 97% | Sodium tetrakis(1-imidazolyl)borate | AS-62482 | MFCD00012083 | SCHEMBL595460 | Sodium tetra(1H-imidazol-1-yl)borate(1-) | DTXSID20635570 | sodium tetrakis(1H-imidazol-1-yl)boranuide | Sodiumtetrakis(1-imidazolyl

Storage

Room temperature

Shipped In

Normal

Overview

Sodium tetrakis(1-imidazolyl)borate was used in the: 

· synthesis of series of zwitterionic molecules.

· preparation of poly(imidazolyl)borate organotin(IV) complex.

· precipitation of deuterium cations.

Specifications

Synonyms

Sodium tetrakis(1-imidazolyl)borate, 97% | Sodium tetrakis(1-imidazolyl)borate | AS-62482 | MFCD00012083 | SCHEMBL595460 | Sodium tetra(1H-imidazol-1-yl)borate(1-) | DTXSID20635570 | sodium tetrakis(1H-imidazol-1-yl)boranuide | Sodiumtetrakis(1-imidazolyl

Specifications & Purity

≥97%

Storage

Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 504769642
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504769642
• Canonical Smiles: [B-](N1C=CN=C1)(N2C=CN=C2)(N3C=CN=C3)N4C=CN=C4.[Na+]
• IUPAC Name: sodium;tetra(imidazol-1-yl)boranuide
• InChIKey: OVRFSDYWKKOQMW-UHFFFAOYSA-N
• INCHI: 1S/C12H12BN8.Na/c1-5-18(9-14-1)13(19-6-2-15-10-19,20-7-3-16-11-20)21-8-4-17-12-21;/h1-12H;/q-1;+1
• Isomeric SMILES: [B-](N1C=CN=C1)(N2C=CN=C2)(N3C=CN=C3)N4C=CN=C4.[Na+]
• WGK Germany: 3
• PubChem CID: 23681131
• Molecular Weight: 302.08

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Azoles
      • Subclass Imidazoles
        • Level5 Substituted imidazoles
          • Level6 N-substituted imidazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Azoles
• Subclass: Imidazoles
• Intermediate Tree Nodes: Substituted imidazoles
• Direct Parent: N-substituted imidazoles
• Alternative Parents: Heteroaromatic compounds Organic metalloid salts Azacyclic compounds Organonitrogen compounds Organic sodium salts Hydrocarbon derivatives Organic cations
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: N-substituted imidazole - Heteroaromatic compound - Azacycle - Organic alkali metal salt - Organic metalloid salt - Organic nitrogen compound - Hydrocarbon derivative - Organic sodium salt - Organic salt - Organonitrogen compound - Organic cation - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as n-substituted imidazoles. These are heterocyclic compounds containing an imidazole ring substituted at position 1.
• 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

• Sensitivity: Moisture sensitive
• Molecular Weight: 302.080 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 0
• Exact Mass: 302.118 Da
• Monoisotopic Mass: 302.118 Da
• Topological Polar Surface Area: 71.300 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 306.000
• 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

XLogP3