Carbonylchlorobis(triphenylphosphine)iridium(I)

CAS

14871-41-1

Catalog Number

ACM14871411-1

Category

Iridium series of catalysts

Molecular Weight

782.3

Molecular Formula

C37H32ClIrOP2

MSDS COA Spec Sheet

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Specification

Synonyms

Bis(triphenylphosphine)iridium(I) carbonyl chloride

IUPAC Name

formaldehyde;iridium;triphenylphosphane;chloride;

Canonical SMILES

C=O.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.[Cl-].[Ir]

InChI

InChI=1S/2C18H15P.CH2O.ClH.Ir/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2;/h2*1-15H;1H2;1H;/p-1

InChI Key

XBRIWYFLOPNYFT-UHFFFAOYSA-M

Melting Point

215 °C

Appearance

Crystal

Application

Catalyst for the intramolecular carbonylative [2+2+1] cycloaddition of allenynes.

Catalyst for the selective hydrogenation of myrcene.

Catalyst for silylation of ortho-functionalized aryl halides with hydrosilanes.

Catalyst for synthesis of aldenamines from carboxamides by silane-reduction/dehydration under mild conditions.

Hydrogen atom transfer catalyst for radical cyclizations.

Complex for photocatalytic alkane dehydrogenation.

Catalyst for chemoselective reductive nucleophilic addition to N-methoxyamides.

Catalyst for chemoselective reductive alkynylation of tertiary amides.

Complexity

204

Covalently-Bonded Unit Count

EC Number

238-941-6

Exact Mass

782.12462

Formal Charge

-1

H-Bond Acceptor

Heavy Atom Count

Hydrogen Bond Acceptor Count

Hydrogen Bond Donor Count

Monoisotopic Mass

782.12462

Rotatable Bond Count

Topological Polar Surface Area

17.1 Å²

What is the PubChem CID of Carbonylchlorobis(triphenylphosphine)iridium(I)?

The PubChem CID of Carbonylchlorobis(triphenylphosphine)iridium(I) is 73553235.

What is the molecular formula of Carbonylchlorobis(triphenylphosphine)iridium(I)?

The molecular formula of Carbonylchlorobis(triphenylphosphine)iridium(I) is C37H32ClIrOP2.

What is the molecular weight of Carbonylchlorobis(triphenylphosphine)iridium(I)?

The molecular weight of Carbonylchlorobis(triphenylphosphine)iridium(I) is 782.3 g/mol.

What is the IUPAC name of Carbonylchlorobis(triphenylphosphine)iridium(I)?

The IUPAC name of Carbonylchlorobis(triphenylphosphine)iridium(I) is formaldehyde;iridium;triphenylphosphane;chloride.

What is the InChI of Carbonylchlorobis(triphenylphosphine)iridium(I)?

The InChI of Carbonylchlorobis(triphenylphosphine)iridium(I) is InChI=1S/2C18H15P.CH2O.ClH.Ir/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2;;/h2*1-15H;1H2;1H;/p-1.

What is the InChIKey of Carbonylchlorobis(triphenylphosphine)iridium(I)?

The InChIKey of Carbonylchlorobis(triphenylphosphine)iridium(I) is XBRIWYFLOPNYFT-UHFFFAOYSA-M.

What is the canonical SMILES of Carbonylchlorobis(triphenylphosphine)iridium(I)?

The canonical SMILES of Carbonylchlorobis(triphenylphosphine)iridium(I) is C=O.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.[Cl-].[Ir].

What is the CAS number of Carbonylchlorobis(triphenylphosphine)iridium(I)?

The CAS number of Carbonylchlorobis(triphenylphosphine)iridium(I) is 14871-41-1.

What is the European Community (EC) number of Carbonylchlorobis(triphenylphosphine)iridium(I)?

The European Community (EC) number of Carbonylchlorobis(triphenylphosphine)iridium(I) is 238-941-6.

What is the hydrogen bond donor count of Carbonylchlorobis(triphenylphosphine)iridium(I)?

The hydrogen bond donor count of Carbonylchlorobis(triphenylphosphine)iridium(I) is 0.

What is the PubChem CID for Carbonylchlorobis(triphenylphosphine)iridium(I)?

The PubChem CID for Carbonylchlorobis(triphenylphosphine)iridium(I) is 73553235.

What are the synonyms for Carbonylchlorobis(triphenylphosphine)iridium(I)?

The synonyms for Carbonylchlorobis(triphenylphosphine)iridium(I) include Bis(triphenylphosphine)iridium(I) carbonyl chloride and Carbonylchloro bis(triphenylphosphine)iridium(I).

What is the InChI key for Carbonylchlorobis(triphenylphosphine)iridium(I)?

The InChI key for Carbonylchlorobis(triphenylphosphine)iridium(I) is XBRIWYFLOPNYFT-UHFFFAOYSA-M.

What is the hydrogen bond acceptor count of Carbonylchlorobis(triphenylphosphine)iridium(I)?

The hydrogen bond acceptor count of Carbonylchlorobis(triphenylphosphine)iridium(I) is 2.

Is Carbonylchlorobis(triphenylphosphine)iridium(I) a canonicalized compound?

Yes, Carbonylchlorobis(triphenylphosphine)iridium(I) is a canonicalized compound according to PubChem.