Sodium Tetrakis[3,5-bis(trifluoromethyl)phenyl]borate Hydrate - ≥98%(HPLC) , CAS No.79060-88-1(Anhydrous)

CAS: 79060-88-1(Anhydrous) Cat. No.: S134441 Molecular Weight: 886.21(Anhydrous) EC Number: 676-842-3 PubChem CID: 23681909

GRADE & PURITY ≥98%(HPLC)

Synonyms

SY046767 | C32H12BF24Na | Sodium tetrakis[3,5-bis(trifluoromethyl)phenyl]borate | Sodium tetrakis[3,5-bis(trifluoromethyl)phenyl]-borate | AKOS015900300 | AS-10729 | FT-0676911 | SCHEMBL226082 | AMY39139 | S0447 | MFCD00043323 | Sodium tetrakis[3,5-bis(tr

Storage

Room temperature

Shipped In

Normal

Overview

It is a Lipophilic additive for solvent polymeric membrane electrodes and optodes.
A lipophilic analogue of tetraphenylborate that is used for solvent extraction of cations.

Specifications

Synonyms

SY046767 | C32H12BF24Na | Sodium tetrakis[3, 5-bis(trifluoromethyl)phenyl]borate | Sodium tetrakis[3, 5-bis(trifluoromethyl)phenyl]-borate | AKOS015900300 | AS-10729 | FT-0676911 | SCHEMBL226082 | AMY39139 | S0447 | MFCD00043323 | Sodium tetrakis[3, 5-bis(tr

Specifications & Purity

≥98%(HPLC)

Storage

Room temperature

Shipped In

Normal

Purity

≥98%(HPLC)

Names and Identifiers

• Canonical Smiles: [B-](C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)(C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)(C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)C4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F.[Na+]
• IUPAC Name: sodium;tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide InChI=
• InChIKey: LTGMONZOZHXAHO-UHFFFAOYSA-N
• INCHI: 1S/C32H12BF24.Na/c34-25(35,36)13-1-14(26(37,38)39)6-21(5-13)33(22-7-15(27(40,41)42)2-16(8-22)28(43,44)45,23-9-17(29(46,47)48)3-18(10-23)30(49,50)51)24-11-19(31(52,53)54)4-20(12-24)32(55,56)57;/h1-12H;/q-1;+1
• Isomeric SMILES: [B-](C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)(C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)(C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)C4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F.[Na+]
• PubChem CID: 23681909
• Molecular Weight: 886.21(Anhydrous)
• Reaxy-Rn: 5474788

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Trifluoromethylbenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Trifluoromethylbenzenes
• Alternative Parents: Organic metalloid salts Organic metal halides Organometalloid compounds Organofluorides Organic sodium salts Hydrocarbon derivatives Alkyl fluorides Organic cations
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Trifluoromethylbenzene - Organic metal halide - Organic alkali metal salt - Organic metalloid salt - Hydrocarbon derivative - Organic sodium salt - Organic salt - Organofluoride - Organic metalloid moeity - Organohalogen compound - Alkyl halide - Alkyl fluoride - Organic cation - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as trifluoromethylbenzenes. These are organofluorine compounds that contain a benzene ring substituted with one or more trifluoromethyl groups.
• 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

• Solubility: Soluble in water.
• Melt Point(°C): 310℃
• Molecular Weight: 886.200 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 25
• Rotatable Bond Count: 0
• Exact Mass: 886.055 Da
• Monoisotopic Mass: 886.055 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 58
• Formal Charge: 0
• Complexity: 1060.000
• 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

References

1. Mingpeng Yang, Nan Sun, Xiaochen Lai, Yanjie Li, Xingqiang Zhao, Jiamin Wu, Wangping Zhou.  (2023)  Screen-Printed Wearable Sweat Sensor for Cost-Effective Assessment of Human Hydration Status through Potassium and Sodium Ion Detection.  Micromachines,  14  (8): (1497).  [PMID:37630034] [10.3390/mi14081497]