Tris(triphenylphosphine)rhodium(I) chloride

Catalog Number	ACM14694952-1
CAS	14694-95-2
Structure
Synonyms	Chlorotris-(triphenylphosphino)-rhodium
IUPAC Name	rhodium;triphenylphosphane;chloride;
Molecular Weight	925.21
Molecular Formula	C54H45ClP3Rh
Canonical SMILES	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.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.[Cl-].[Rh]
InChI	InChI=1S/3C18H15P.ClH.Rh/c3*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;/h3*1-15H;1H;/p-1
InChI Key	QBERHIJABFXGRZ-UHFFFAOYSA-M
Melting Point	245-250 °C
Purity	98%
Appearance	Magenta crystal
Application	A homogeneous hydrogenation catalyst which operates under mild conditions. Catalyst for the decarbonylation of aldehydes. Catalyst for regio- and stereoselective allylic substitution reactions. Alkyne hydro-phosphorylation Heck-type reaction with α,β-unsaturated esters. Alkyne arylation Allylic alcohol-olefin coupling. Terminal alkenes from ketones. Rh-catalyzed isomerization of α-aryl propargyl alcohols to indanones. Reductive deprotection of silyl groups.
Storage	2-8°C
Complexity	202
Covalently-Bonded Unit Count	5
Defined Atom Stereocenter Count	0
EC Number	238-744-5
Exact Mass	924.14776
Formal Charge	-1
Heavy Atom Count	59
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Monoisotopic Mass	924.14776
Rotatable Bond Count	9
Topological Polar Surface Area	0 Ų

Q&A

What is the molecular formula of Tris(triphenylphosphine)rhodium(I) Chloride?

The molecular formula of Tris(triphenylphosphine)rhodium(I) Chloride is C54H45ClP3Rh.

What is the molecular weight of Tris(triphenylphosphine)rhodium(I) Chloride?

The molecular weight of Tris(triphenylphosphine)rhodium(I) Chloride is 925.2 g/mol.

What is the IUPAC name of Tris(triphenylphosphine)rhodium(I) Chloride?

The IUPAC name of Tris(triphenylphosphine)rhodium(I) Chloride is rhodium;triphenylphosphane;chloride.

What is the InChI of Tris(triphenylphosphine)rhodium(I) Chloride?

The InChI of Tris(triphenylphosphine)rhodium(I) Chloride is InChI=1S/3C18H15P.ClH.Rh/c3*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;;/h3*1-15H;1H;/p-1.

What is the InChIKey of Tris(triphenylphosphine)rhodium(I) Chloride?

The InChIKey of Tris(triphenylphosphine)rhodium(I) Chloride is QBERHIJABFXGRZ-UHFFFAOYSA-M.

What is the canonical SMILES of Tris(triphenylphosphine)rhodium(I) Chloride?

The canonical SMILES of Tris(triphenylphosphine)rhodium(I) Chloride is 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.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.[Cl-].[Rh].

What is the CAS number of Tris(triphenylphosphine)rhodium(I) Chloride?

The CAS number of Tris(triphenylphosphine)rhodium(I) Chloride is 14694-95-2.

What is the hydrogen bond donor count of Tris(triphenylphosphine)rhodium(I) Chloride?

The hydrogen bond donor count of Tris(triphenylphosphine)rhodium(I) Chloride is 0.

What is the hydrogen bond acceptor count of Tris(triphenylphosphine)rhodium(I) Chloride?

The hydrogen bond acceptor count of Tris(triphenylphosphine)rhodium(I) Chloride is 1.

What is the rotatable bond count of Tris(triphenylphosphine)rhodium(I) Chloride?

The rotatable bond count of Tris(triphenylphosphine)rhodium(I) Chloride is 9.

How many rotatable bonds does Tris(triphenylphosphine)rhodium(I) Chloride have?

Tris(triphenylphosphine)rhodium(I) Chloride has 9 rotatable bonds.

What is the exact mass of Tris(triphenylphosphine)rhodium(I) Chloride?

The exact mass of Tris(triphenylphosphine)rhodium(I) Chloride is 924.14776 g/mol.