Tri-tert-butylphosphonium tetrafluoroborate

• CAS: 131274-22-1
• Catalog Number: ACM131274221-1
• Category: Borate
• Molecular Weight: 290.13
• Molecular Formula: C12H28BF4P
• Synonyms: Fluoroboric Acid Tri-Tert-Butylphosphine Adduct
• IUPAC Name: tritert-butylphosphanium;tetrafluoroborate
• Canonical SMILES: [B-](F)(F)(F)F.CC(C)(C)[PH+](C(C)(C)C)C(C)(C)C
• InChI: YTJUCJAUJCXFTN-UHFFFAOYSA-O
• InChI Key: InChI=1S/C12H27P.BF4/c1-10(2,3)13(11(4,5)6)12(7,8)9;2-1(3,4)5/h1-9H3;/q;-1/p+1
• Melting Point: 261 °C(lit.)
• Appearance: Solid
• Application: Air-stable, non-pyrophoric precursor of the Tri-t-butylphosphine ligand which is used in a variety of catalytic processes.; ; Ligand for Suzuki cross-couplings.; ; Ligand for Heck Reactions.; ; Ligand for Stille Cross-couplings.; ; Ligand for α-Arylation and vinylation of arylmandelic acid derivatives.; ; Ligand for direct arylation of hetercycles; ; Synthesis of benzocyclobutenes by C-H activation.; ; Cross-coupling of Grignard reagents and aryl bromides.; ; Palladium catalyzed annulation of haloanilines.; ; Palladium-Catalyzed Acylation.; ; Palladium Catalyzed Carbonylative Heck Reaction.; ; Palladium-catalyzed aminosulfonylation.; ; Palladium-catalyzed intramolecular C-O bond formation.; ; Ruthenium-catalyzed cross-coupling of aldehydes with arylboronic acid.
• Complexity: 147
• Covalently-Bonded Unit Count: 2
• Exact Mass: 290.196g/mol
• H-Bond Acceptor: 5
• Heavy Atom Count: 18
• Isomeric SMILES: [B-](F)(F)(F)F.CC(C)(C)[PH+](C(C)(C)C)C(C)(C)C
• Monoisotopic Mass: 290.196g/mol
• Rotatable Bond Count: 3
• Topological Polar Surface Area: 0A^2

Custom Q&A

What is the molecular formula of Tri-tert-butylphosphonium tetrafluoroborate?

The molecular formula of Tri-tert-butylphosphonium tetrafluoroborate is C12H28BF4P.

What is the molecular weight of Tri-tert-butylphosphonium tetrafluoroborate?

The molecular weight of Tri-tert-butylphosphonium tetrafluoroborate is 290.13 g/mol.

What are some synonyms for Tri-tert-butylphosphonium tetrafluoroborate?

Some synonyms for Tri-tert-butylphosphonium tetrafluoroborate are tritert-butylphosphanium;tetrafluoroborate and TRI-T-BUTYLPHOSPHONIUM TETRAFLUOROBORATE.

What is the IUPAC name of Tri-tert-butylphosphonium tetrafluoroborate?

The IUPAC name of Tri-tert-butylphosphonium tetrafluoroborate is tritert-butylphosphanium;tetrafluoroborate.

What is the InChIKey of Tri-tert-butylphosphonium tetrafluoroborate?

The InChIKey of Tri-tert-butylphosphonium tetrafluoroborate is YTJUCJAUJCXFTN-UHFFFAOYSA-O.

What is the CAS number of Tri-tert-butylphosphonium tetrafluoroborate?

The CAS number of Tri-tert-butylphosphonium tetrafluoroborate is 131274-22-1.

How many hydrogen bond acceptors does Tri-tert-butylphosphonium tetrafluoroborate have?

Tri-tert-butylphosphonium tetrafluoroborate has 5 hydrogen bond acceptors.

What is the topological polar surface area of Tri-tert-butylphosphonium tetrafluoroborate?

The topological polar surface area of Tri-tert-butylphosphonium tetrafluoroborate is 0-2.

How many covalently-bonded units are present in Tri-tert-butylphosphonium tetrafluoroborate?

There are 2 covalently-bonded units present in Tri-tert-butylphosphonium tetrafluoroborate.

Is Tri-tert-butylphosphonium tetrafluoroborate considered a canonicalized compound?

Yes, Tri-tert-butylphosphonium tetrafluoroborate is considered a canonicalized compound.