[1-(Diphenylphosphino)ethyl]ferrocene

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Molecular Formula:

C24H23FeP

Molecular Weight:

398.26

CAS Number:

178388-23-3

Catalog Number:

178388-23-3

Product Information

Molecular Formula:

C24H23FeP

Molecular Weight:

398.26

Description

[1-(Diphenylphosphino)ethyl]ferrocene is a complex biosynthetic intermediate that plays a key role in the pharmaceutical industry, mainly in the creation of metallocene-centric ones.

Canonical SMILES

CC([C]1[CH][CH][CH][CH]1)P(C2=CC=CC=C2)C3=CC=CC=C3.[CH]1[CH][CH][CH][CH]1.[Fe]

InChI

InChI=1S/C19H18P.C5H5.Fe/c1-16(17-10-8-9-11-17)20(18-12-4-2-5-13-18)19-14-6-3-7-15-191-2-4-5-3-1/h2-16H,1H31-5H

InChI Key

WNHZFUIMWGWGNB-UHFFFAOYSA-N

Melting Point

71-81 °C

Safety Information

Hazards

H315-H361d

Precautionary Statement

P201-P308 + P313

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

398.088673 g/mol

Monoisotopic Mass

398.088673 g/mol

Topological Polar Surface Area

0Å²

Heavy Atom Count

Formal Charge

Complexity

263

Isotope Atom Count

Defined Atom Stereocenter Count

Undefined Atom Stereocenter Count

Defined Bond Stereocenter Count

Undefined Bond Stereocenter Count

Covalently-Bonded Unit Count

Compound Is Canonicalized

Yes

The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

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The dilution calculator equation

Concentration _(start) × Volume _(start) = Concentration _(final) × Volume _(final)

This equation is commonly abbreviated as: C₁V₁ = C₂V₂

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[1-(Diphenylphosphino)ethyl]ferrocene

Product Information

Safety Information

Computed Properties

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