Carbonylchlorohydridotris(triphenylphosphine)ruthenium(II)

CAS

16971-33-8

Catalog Number

ACM16971338-1

Category

Ruthenium series catalysts

Molecular Weight

952.41

Molecular Formula

C55H46ClOP3Ru

MSDS COA Spec Sheet

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Specification

Synonyms

Carbonylchlorohydridotris(triphenylphosphine)ruthenium(II);16971-33-8;MFCD00049804;Ru(CO)ClH[P(C6H5)3]3;[(C6H5)3P]3Ru(CO)(Cl)H;AKOS024258164;

IUPAC Name

chloro(hydrido)ruthenium;formaldehyde;triphenylphosphane;

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.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.Cl[RuH];

InChI

InChI=1S/3C18H15P.CH₂O.ClH.Ru.H/c3*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2;;;/h3*1-15H;1H2;1H;;/q;;;;;+1;/p-1;

InChI Key

IOCHTJOKPQTFJY-UHFFFAOYSA-M;

Appearance

beige

Application

Hydroformylation; Hydrogenation→Transfer Hydrogenation; Isomerization;

Color/Form

powder

Complexity

206

Covalently-Bonded Unit Count

EC Number

241-051-0

Exact Mass

954.165g/mol

H-Bond Acceptor

Heavy Atom Count

Monoisotopic Mass

954.165g/mol

Rotatable Bond Count

Topological Polar Surface Area

17.1A^2

January 20, 2023

High efficient catalyst
Carbonylchlorohydridotris(triphenylphosphine)ruthenium(II) can be used as a catalyst for series isomerization and Friedel-Crafts alkylation to form imine.

What is the molecular formula of Carbonylchlorohydridotris(triphenylphosphine)ruthenium(II)?

The molecular formula is C55H45ClOP3Ru.

What is the molecular weight of Carbonylchlorohydridotris(triphenylphosphine)ruthenium(II)?

The molecular weight is 951.4 g/mol.

What are the synonyms for Carbonylchlorohydridotris(triphenylphosphine)ruthenium(II)?

Some synonyms include 16971-33-8 and Carbonylchlorohydridotris(triphenylphosphine)ruthenium(II).

What are the component compounds of Carbonylchlorohydridotris(triphenylphosphine)ruthenium(II)?

The component compounds include Chloro ruthenium, Triphenylphosphine, and Carbon Monoxide.

When was Carbonylchlorohydridotris(triphenylphosphine)ruthenium(II) first created?

It was first created on October 26, 2006.

What is the InChIKey of Carbonylchlorohydridotris(triphenylphosphine)ruthenium(II)?

The InChIKey is MVJRXTSUBHUUPN-UHFFFAOYSA-M.

What is the canonical SMILES representation of Carbonylchlorohydridotris(triphenylphosphine)ruthenium(II)?

The canonical SMILES representation is [C-]#[O+].C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3...

What is the European Community (EC) Number for Carbonylchlorohydridotris(triphenylphosphine)ruthenium(II)?

The EC Number is 241-051-0.

What is the exact mass of Carbonylchlorohydridotris(triphenylphosphine)ruthenium(II)?

The exact mass is 951.141520 g/mol.

Is Carbonylchlorohydridotris(triphenylphosphine)ruthenium(II) a canonicalized compound according to PubChem?

Yes, it is a canonicalized compound.