Sodium fluoroborate - PrimorTrace™, ≥99.99% metals basis , CAS No.13755-29-8

CAS: 13755-29-8 Cat. No.: S118606 Molecular Weight: 109.79 EC Number: 237-340-6 PubChem CID: 4343483

GRADE & PURITY PrimorTrace™, ≥99.99% metals basis

Synonyms

Sodium tetrafluoroborate

Storage

Argon charged,Room temperature

Shipped In

Normal

Overview

Sodium tetrafluoroborate (NaBF4) is colorless sodium salt and its crystals belong to the rhombic crystal system. It can be synthesized by reacting tetrafluoroboric acid with sodium carbonate or hydroxide.

Sodium tetrafluoroborate may be used as a catalyst for the synthesis of bis(indolyl)methanes via electrophilic substitution reaction of indoles with aldehydes and ketones. It may also be used as a source of tetrafluoroborate anoins during the synthesis of ionic liquids like 1-butyl-3-methylimidazolium tetrafluoroborate and trihexyl(tetradecyl)phosphonium tetrafluoroborate.

Sodium tetrafluoroborate may be used for the laboratory synthesis of boron fluoride. It may be used for the synthesis of fluoro-nucleic acids and fluoroheterocyclic compounds.

Specifications

Synonyms

Sodium tetrafluoroborate

Specifications & Purity

PrimorTrace™, ≥99.99% metals basis

Storage

Argon charged, Room temperature

Shipped In

Normal

Grade

PrimorTrace™

Purity

≥99.99% metals basis

Names and Identifiers

• Pubchem Sid: 504762969
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504762969
• Canonical Smiles: [B-](F)(F)(F)F.[Na+]
• IUPAC Name: sodium;tetrafluoroborate
• InChIKey: KGJZTOFHXCFQIV-UHFFFAOYSA-N
• INCHI: 1S/BF4.Na/c2-1(3,4)5;/q-1;+1
• Isomeric SMILES: [B-](F)(F)(F)F.[Na+]
• WGK Germany: 1
• PubChem CID: 4343483
• Molecular Weight: 109.79

Taxonomic Classification

Taxonomy Tree

• Kingdom Inorganic compounds
  • Superclass Mixed metal/non-metal compounds
    • Class Metalloid salts
      • Subclass Metalloid fluorides

• Kingdom: Inorganic compounds
• Superclass: Mixed metal/non-metal compounds
• Class: Metalloid salts
• Subclass: Metalloid fluorides
• Intermediate Tree Nodes: Not available
• Direct Parent: Metalloid fluorides
• Alternative Parents: Inorganic sodium salts
• Molecular Framework: Not available
• Substituents: Metalloid fluoride - Inorganic sodium salt - Inorganic salt
• Description: This compound belongs to the class of inorganic compounds known as metalloid fluorides. These are inorganic compounds in which the largest halogen atom is fluorine, and the heaviest metal atom is a metalloid.
• 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

Associated Targets(Human)

CA2 Tclin Carbonic anhydrase II (17698 Activities)

Discover Target: CA2

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

CA1 Tclin Carbonic anhydrase I (13240 Activities)

Discover Target: CA1

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

Associated Targets(non-human)

Carbonic anhydrase (69 Activities)

Explore this target

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

Trypanosoma cruzi (99888 Activities)

Explore this target

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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble in water, slightly soluble in alcohol.
• Sensitivity: Moisture sensitive
• Melt Point(°C): 384°C
• Molecular Weight: 109.800 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 0
• Exact Mass: 109.993 Da
• Monoisotopic Mass: 109.993 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 6
• Formal Charge: 0
• Complexity: 23.000
• 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

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