2-[Bis(3,5-dimethylphenyl)phosphino]benzaldehyde

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Molecular Formula:

C23H23OP

Molecular Weight:

346.40

CAS Number:

669091-00-3

Catalog Number:

669091-00-3

Product Information

Molecular Formula:

C23H23OP

Molecular Weight:

346.40

Description

Reactant for asymmetric hydrogenation.

Synonyms

2-bis(3,5-dimethylphenyl)phosphanylbenzaldehyde

IUPAC Name

2-bis(3,5-dimethylphenyl)phosphanylbenzaldehyde

Canonical SMILES

CC1=CC(=CC(=C1)P(C2=CC=CC=C2C=O)C3=CC(=CC(=C3)C)C)C

InChI

InChI=1S/C23H23OP/c1-16-9-17(2)12-21(11-16)25(22-13-18(3)10-19(4)14-22)23-8-6-5-7-20(23)15-24/h5-15H,1-4H3

InChI Key

PQIAXRGPKDEYLW-UHFFFAOYSA-N

Melting Point

106-110 °C

Flash Point

Not applicable

Purity

97 %

LogP

4.49090

Computed Properties

XLogP3

5.5

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

346.148652351 g/mol

Monoisotopic Mass

346.148652351 g/mol

Topological Polar Surface Area

17.1Å²

Heavy Atom Count

Formal Charge

Complexity

390

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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2-[Bis(3,5-dimethylphenyl)phosphino]benzaldehyde

Product Information

Computed Properties

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