chempirical

[1,2-Bis(diphenyphosphino)ethane]dichloroiron(II)

C26H24Cl2FeP2CAS 41536-18-9525.17 g/mol

Open in Covalent MOL file
PPClFeCl
Phosphine

Properties

Molecular formula
C26H24Cl2FeP2
Molar mass
525.17 g/mol
Exact mass
524.0080 Da
logP
6.63Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
7

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
41536-18-9
SMILES
C1=CC=C(C=C1)P(CCP(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4.Cl[Fe]Cl
InChIKey
ZXTCSIQSHINKKY-UHFFFAOYSA-L
InChI
InChI=1S/C26H24P2.2ClH.Fe/c1-5-13-23(14-6-1)27(24-15-7-2-8-16-24)21-22-28(25-17-9-3-10-18-25)26-19-11-4-12-20-26;;;/h1-20H,21-22H2;2*1H;/q;;;+2/p-2

Weigh it out

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

Work with [1,2-Bis(diphenyphosphino)ethane]dichloroiron(II)

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.

1,2-Bis(diphenylphosphino)ethane1663-45-2Parent compound [1,2-Bis(diphenylphosphino)ethane]dichloropalladium(II)19978-61-1Salt

Similar compounds

Bis[1,2-bis(diphenylphosphino)ethane]palladium(0)31277-98-263 % similar Bis(diphenylphosphinoethyl)phenylphosphine23582-02-760 % similar 1,3-Bis(diphenylphosphino)propane6737-42-458 % similar 1,4-Bis(diphenylphosphino)butane7688-25-758 % similar 1,6-Bis(diphenylphosphino)hexane19845-69-356 % similar 1,5-Bis(diphenylphosphino)pentane27721-02-456 % similar 1,2-Bis(diphenylphosphino)ethane nickel(II) chloride14647-23-556 % similar (2-Aminoethyl)diphenylphosphine4848-43-552 % similar

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

Elsewhere

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