1,3-Bis(dicyclohexylphosphino)propane bis(tetrafluoroborate)

• CAS: 1002345-50-7
• Catalog Number: ACM1002345507
• Category: Other Phosphine Ligands
• Molecular Weight: 612.27
• Molecular Formula: C27H52B2F8P2
• Synonyms: SY059050; 1,3-Bis(dicyclohexylphosphino)propane bis(tetrafluoroborate), 97%; 1002345-50-7; Propane-1,3-diylbis(dicyclohexylphosphonium) tetrafluoroborate; 1,3-Bis(dicyclohexylphosphonium)propane bis(tetrafluoroborate); 1,3-Bis(dicyclohexylphosphino)propane bis(tetrafluoro borate); CS-W020740; J-000068
• IUPAC Name: Dicyclohexyl(3-dicyclohexylphosphaniumylpropyl)phosphanium;ditetrafluoroborate
• SMILES: [B-](F)(F)(F)F.[B-](F)(F)(F)F.C1CCC(CC1)[PH+](CCC[PH+](C2CCCCC2)C3CCCCC3)C4CCCCC4
• InChI: InChI=1S/C27H50P2.2BF4/c1-5-14-24(15-6-1)28(25-16-7-2-8-17-25)22-13-23-29(26-18-9-3-10-19-26)27-20-11-4-12-21-27;2*2-1(3,4)5/h24-27H,1-23H2;;/q;2*-1/p+2
• InChI Key: XJZAIJGNZUQTAM-UHFFFAOYSA-P
• Application: Ligand for palladium-catalyzed carbonylation of aryl tosylates and mesylates.; Ligand for palladium-catalyzed aminocarbonylation of aryl chlorides at atmospheric pressure.
• Complexity: 369
• Covalently-Bonded Unit Count: 3
• Exact Mass: 612.36g/mol
• H-Bond Acceptor: 10
• H-Bond Donor: 39
• Heavy Atom Count: 39
• Monoisotopic Mass: 612.36g/mol
• Rotatable Bond Count: 8
• Topological Polar Surface Area: 0A^2

Custom Q&A

What is the molecular formula of 1,3-Bis(dicyclohexylphosphino)propane bis(tetrafluoroborate)?

The molecular formula is C27H52B2F8P2.

When was 1,3-Bis(dicyclohexylphosphino)propane bis(tetrafluoroborate) created and modified?

It was created on 2008-03-03 and modified on 2023-12-30.

What are the synonyms for 1,3-Bis(dicyclohexylphosphino)propane bis(tetrafluoroborate)?

Some synonyms include Propane-1,3-diylbis(dicyclohexylphosphonium) tetrafluoroborate and MFCD12545948.

What is the molecular weight of 1,3-Bis(dicyclohexylphosphino)propane bis(tetrafluoroborate)?

The molecular weight is 612.3 g/mol.

What is the IUPAC name of 1,3-Bis(dicyclohexylphosphino)propane bis(tetrafluoroborate)?

The IUPAC name is dicyclohexyl(3-dicyclohexylphosphaniumylpropyl)phosphanium;ditetrafluoroborate.

What is the Canonical SMILES of 1,3-Bis(dicyclohexylphosphino)propane bis(tetrafluoroborate)?

The Canonical SMILES is [B-](F)(F)(F)F.[B-](F)(F)(F)F.C1CCC(CC1)[PH+](CCC[PH+](C2CCCCC2)C3CCCCC3)C4CCCCC4.

What is the InChIKey of 1,3-Bis(dicyclohexylphosphino)propane bis(tetrafluoroborate)?

The InChIKey is XJZAIJGNZUQTAM-UHFFFAOYSA-P.

How many hydrogen bond acceptor counts does 1,3-Bis(dicyclohexylphosphino)propane bis(tetrafluoroborate) have?

It has 10 hydrogen bond acceptor counts.

What is the topological polar surface area of 1,3-Bis(dicyclohexylphosphino)propane bis(tetrafluoroborate)?

The topological polar surface area is 0.

Is the compound canonicalized?

Yes, the compound is canonicalized.