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

C₂₇H₅₂B₂F₈P₂CAS 1002345-50-7612.27 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₂₇H₅₂B₂F₈P₂
Molar mass: 612.27 g/mol
Exact mass: 612.3603 Da
logP: 11.74Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 8

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

1002345-50-7

SMILES

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

InChIKey

XJZAIJGNZUQTAM-UHFFFAOYSA-P

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

Weigh it out

Type any one amount. The others follow from the molar mass.

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

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

1,3-Bis(dicyclohexylphosphino)propane103099-52-1Parent compound

Similar compounds

Tricyclohexylphosphonium tetrafluoroborate58656-04-563 % similar 1,3-Dicyclohexyl-imidazolium tetrafluoroborate286014-38-830 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook