Carbonylchlorobis(triphenylphosphine)iridium(I)

Catalog Number	ACM14871411-1
CAS	14871-41-1
Structure
Synonyms	Bis(triphenylphosphine)iridium(I) carbonyl chloride
IUPAC Name	formaldehyde;iridium;triphenylphosphane;chloride;
Molecular Weight	782.3
Molecular Formula	C37H32ClIrOP2
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
Purity	99%
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	5
EC Number	238-941-6
Exact Mass	782.12462
Formal Charge	-1
Heavy Atom Count	42
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Monoisotopic Mass	782.12462
Rotatable Bond Count	6
Topological Polar Surface Area	17.1 Ų

Q&A

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.