Tricyclopentylphosphonium tetrafluoroborate - ≥98% , CAS No.610756-04-2

CAS: 610756-04-2 Cat. No.: T589647 Molecular Weight: 326.16 EC Number: 624-697-1 PubChem CID: 11771742

GRADE & PURITY ≥98%

Synonyms

Tricyclopentylphosphine tetrafluoroborate, 95% | D82599 | Tricyclopentylphosphonium tetrafluoroborate | tricyclopentylphosphanium;tetrafluoroborate | Cyp3HBF4, PCyp3HBF4 | Tricyclopentylphosphine tetrafluoroborate | Tricyclopentylphosphoniumtetrafluorobor

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Overview

Product Application
Catalyst for alkane C-H arylation from aryl chlorides.Ligand for ruthenium-catalyzed greener amide bond formation by dehydrogenative coupling of amines and alcohols.

Specifications

Synonyms

Tricyclopentylphosphine tetrafluoroborate, 95% | D82599 | Tricyclopentylphosphonium tetrafluoroborate | tricyclopentylphosphanium;tetrafluoroborate | Cyp3HBF4, PCyp3HBF4 | Tricyclopentylphosphine tetrafluoroborate | Tricyclopentylphosphoniumtetrafluorobor

Specifications & Purity

≥98%

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%

Names and Identifiers

• Canonical Smiles: [B-](F)(F)(F)F.C1CCC(C1)[PH+](C2CCCC2)C3CCCC3
• IUPAC Name: tricyclopentylphosphanium;tetrafluoroborate
• InChIKey: KTDMVANQORSVPI-UHFFFAOYSA-O
• INCHI: 1S/C15H27P.BF4/c1-2-8-13(7-1)16(14-9-3-4-10-14)15-11-5-6-12-15;2-1(3,4)5/h13-15H,1-12H2;/q;-1/p+1
• Isomeric SMILES: [B-](F)(F)(F)F.C1CCC(C1)[PH+](C2CCCC2)C3CCCC3
• WGK Germany: 3
• PubChem CID: 11771742
• Molecular Weight: 326.16

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

• Melt Point(°C): 246-264 °C
• Molecular Weight: 326.160 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 326.196 Da
• Monoisotopic Mass: 326.196 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 189.000
• 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

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