m-Xylylene-bis-(triphenylphosphonium chloride) - CAS 66726-75-8

Catalog:	BB043804
Product Name:	m-Xylylene-bis-(triphenylphosphonium chloride)
CAS:	66726-75-8
Synonyms:	1,3-Bis(methyltriphenylphosphonium)phenyl dichloride; SCHEMBL5149449; CTK1J4360; DTXSID60629857; Triphenyl-[[3-(triphenylphosphaniumylmethyl)phenyl]methyl]phosphanium dichloride

Technical Data

IUPAC Name:	triphenyl-[[3-(triphenylphosphaniumylmethyl)phenyl]methyl]phosphanium;dichloride
Description:	m-Xylylene-bis-(triphenylphosphonium chloride) (CAS# 66726-75-8 ) is a useful research chemical.
Molecular Weight:	699.60
Molecular Formula:	C44H38Cl2P2
Canonical SMILES:	C1=CC=C(C=C1)[P+](CC2=CC(=CC=C2)C[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7.[Cl-].[Cl-]
InChI:	InChI=1S/C44H38P2.2ClH/c1-7-22-39(23-8-1)45(40-24-9-2-10-25-40,41-26-11-3-12-27-41)35-37-20-19-21-38(34-37)36-46(42-28-13-4-14-29-42,43-30-15-5-16-31-43)44-32-17-6-18-33-44;;/h1-34H,35-36H2;2*1H/q+2;;/p-2
InChI Key:	KKKCMYAPKHMSQQ-UHFFFAOYSA-L

Complexity:	699
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	3
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	698.1825805999999
Formal Charge:	0
Heavy Atom Count:	48
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	698.1825805999999
Rotatable Bond Count:	10
Topological Polar Surface Area:	0
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0