Tetrabutylphosphonium Tetrafluoroborate - ≥97% , CAS No.1813-60-1

CAS: 1813-60-1 Cat. No.: T162755 Molecular Weight: 346.24 EC Number: 628-846-1 PubChem CID: 13669093

GRADE & PURITY ≥97%

Synonyms

D92563 | TetrabutylphosphoniumTetrafluoroborate | Tetrabutylphosphonium tetrafluoroborate | SY073730 | Phosphonium, tetrabutyl-, tetrafluoroborate(1-) (1:1) | AKOS015832949 | MFCD00270144 | SCHEMBL161505 | tetrabutylphosphanium;tetrafluoroborate | T2006

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

D92563 | TetrabutylphosphoniumTetrafluoroborate | Tetrabutylphosphonium tetrafluoroborate | SY073730 | Phosphonium, tetrabutyl-, tetrafluoroborate(1-) (1:1) | AKOS015832949 | MFCD00270144 | SCHEMBL161505 | tetrabutylphosphanium;tetrafluoroborate | T2006

Specifications & Purity

≥97%

Storage

Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 488198501
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488198501
• Canonical Smiles: [B-](F)(F)(F)F.CCCC[P+](CCCC)(CCCC)CCCC
• IUPAC Name: tetrabutylphosphanium;tetrafluoroborate
• InChIKey: BYCHYJSDSHOWIP-UHFFFAOYSA-N
• INCHI: 1S/C16H36P.BF4/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;2-1(3,4)5/h5-16H2,1-4H3;/q+1;-1
• Isomeric SMILES: [B-](F)(F)(F)F.CCCC[P+](CCCC)(CCCC)CCCC
• PubChem CID: 13669093
• Molecular Weight: 346.24

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organophosphorus compounds
    • Class Tetraalkylphosphonium compounds

• Kingdom: Organic compounds
• Superclass: Organophosphorus compounds
• Class: Tetraalkylphosphonium compounds
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Tetraalkylphosphonium compounds
• Alternative Parents: Organic metalloid salts Hydrocarbon derivatives Organic cations
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Tetraalkylphosphonium compound - Organic metalloid salt - Hydrocarbon derivative - Organic salt - Organic cation - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as tetraalkylphosphonium compounds. These are organophosphorus compounds that contain a tetravalent phosphorus atom substituted to four alkyl chains.
• 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 Methanol
• Melt Point(°C): 97-100℃
• Molecular Weight: 346.200 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 12
• Exact Mass: 346.258 Da
• Monoisotopic Mass: 346.258 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 135.000
• 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. Wei Wen, Zimei Fu, Man Zhao, Na Gao, Qinyun Yan, Liwu Qiang, Shuai He, Ze Wang, Lifang Shi, He Xiao, Jianfeng Jia.  (2025)  Direct urea oxidation pathway enabled by Mo-regulated Ni2P-MoOx heterostructures on black phosphorus for wastewater remediation.  JOURNAL OF ALLOYS AND COMPOUNDS,      [PMID:] [10.1016/j.jallcom.2025.184013]