1,1'-(1,9-Nonanediyl)bis[1,1,1-triphenyl-phosphonium Bromide (1:2) - CAS 90052-39-4

Catalog:	BB058690
Product Name:	1,1'-(1,9-Nonanediyl)bis[1,1,1-triphenyl-phosphonium Bromide (1:2)
CAS:	90052-39-4
Synonyms:	AF 518; Nonamethylenebis[triphenylphosphonium] Dibromide; 1,9-Nonanediylbis[triphenyl-phosphonium Dibromide

Technical Data

IUPAC Name:	triphenyl(9-triphenylphosphaniumylnonyl)phosphaniumdibromide
Description:	1,1'-(1,9-Nonanediyl)bis[1,1,1-triphenyl-phosphonium Bromide (1:2) can be used as reactant/reagent in synthetic preparation of thermally stable geminal dicationic ionic liquids and related ionic compounds and examination of physicochemical properties by structural modification.
Molecular Weight:	810.62
Molecular Formula:	C45H48Br2P2
Canonical SMILES:	C1=CC=C(C=C1)[P+](CCCCCCCCC[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6.[Br-].[Br-]
InChI:	InChI=1S/C45H48P2.2BrH/c1(2-4-24-38-46(40-26-12-6-13-27-40,41-28-14-7-15-29-41)42-30-16-8-17-31-42)3-5-25-39-47(43-32-18-9-19-33-43,44-34-20-10-21-35-44)45-36-22-11-23-37-45/h6-23,26-37H,1-5,24-25,38-39H22*1H/q+2/p-2
InChI Key:	HAUSOYOTQFEFKE-UHFFFAOYSA-L
References:	Patil, R., et al. Chem Mater, 28, 4315-4323 (2016).

Complexity:	656
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	3
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	810.15775
Formal Charge:	0
Heavy Atom Count:	49
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	808.1598
Rotatable Bond Count:	16
Topological Polar Surface Area:	0Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0