Tricyclohexylphosphine tetrafluoroborate - ≥98% , CAS No.58656-04-5

CAS: 58656-04-5 Cat. No.: T115593 Molecular Weight: 368.24 EC Number: 672-607-4 PubChem CID: 11710396

GRADE & PURITY ≥98%

Synonyms

FT-0689086 | AKOS008901221 | AC-957 | DTXSID50470991 | Tricyclohexyl-phosphonium tetrafluoro borate | SCHEMBL241581 | MYSMMEUXKHJYKH-UHFFFAOYSA-O | AKOS003352500 | tricyclohexyl phosphonium tetrafluoroborate | TRICYCLOHEXYLPHOSPHINE TETRAFLUROBORATE | tet

Storage

Argon charged,Room temperature

Shipped In

Normal

Overview

Tricyclohexylphosphine tetrafluoroborate (PCy3·HBF4) is an inexpensive and air-stable phosphine ligand, commonly used in cross-coupling reactions.

Specifications

Synonyms

FT-0689086 | AKOS008901221 | AC-957 | DTXSID50470991 | Tricyclohexyl-phosphonium tetrafluoro borate | SCHEMBL241581 | MYSMMEUXKHJYKH-UHFFFAOYSA-O | AKOS003352500 | tricyclohexyl phosphonium tetrafluoroborate | TRICYCLOHEXYLPHOSPHINE TETRAFLUROBORATE | tet

Specifications & Purity

≥98%

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Canonical Smiles: [B-](F)(F)(F)F.C1CCC(CC1)[PH+](C2CCCCC2)C3CCCCC3
• IUPAC Name: tricyclohexylphosphanium;tetrafluoroborate
• InChIKey: MYSMMEUXKHJYKH-UHFFFAOYSA-O
• INCHI: 1S/C18H33P.BF4/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;2-1(3,4)5/h16-18H,1-15H2;/q;-1/p+1
• Isomeric SMILES: [B-](F)(F)(F)F.C1CCC(CC1)[PH+](C2CCCCC2)C3CCCCC3
• WGK Germany: 3
• PubChem CID: 11710396
• Molecular Weight: 368.24
• Reaxy-Rn: 6789409

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic salts
    • Class Organic metal salts
      • Subclass Organic metalloid salts

• Kingdom: Organic compounds
• Superclass: Organic salts
• Class: Organic metal salts
• Subclass: Organic metalloid salts
• Intermediate Tree Nodes: Not available
• Direct Parent: Organic metalloid salts
• Alternative Parents: Organophosphorus compounds Hydrocarbon derivatives Organic cations
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Organic metalloid salt - Hydrocarbon derivative - Organophosphorus compound - Organic cation - Aliphatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as organic metalloid salts. These are organic salt compounds containing a metalloid atom in its ionic form.
• 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): 164°C
• Molecular Weight: 368.200 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 368.243 Da
• Monoisotopic Mass: 368.243 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 221.000
• 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. Yu Luo, Zijun Yan, Fenglei Wang, Zining Wang, Min Zhou, Yongdong Jin, Yuanhua Wang, Chuanqin Xia.  (2023)  3D ultra-micropore organic polymers with fixed group and thieno[3,2-b]thiophene to enhance adsorption and separation of Xe/Kr.  SEPARATION AND PURIFICATION TECHNOLOGY,      [PMID:] [10.1016/j.seppur.2023.125460]

2. Zijun Yan, Yu Luo, Bo Chen, Fenglei Wang, Lang Chen, Zining Wang, Pengwei Zhao, Jinyang Kang, Zhihai Fu, Yongdong Jin, Yuanhua Wang, Chuanqin Xia.  (2022)  Thiophene-based conjugated ultra-micropore rigid polymers for selective xenon capture.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2022.139934]

3. Zhou Min, Wang Fenglei, Jin Yongdong, Chen Shanyong, Xia Chuanqin.  (2024)  Improving Photophysical Properties and Hydrophily of Conjugated Polymers Simultaneously by Side-Chain Modification for Near-Infrared Cell Imaging.  JOURNAL OF FLUORESCENCE,      [PMID:39120746] [10.1007/s10895-024-03878-4]