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Structure

(Bicyclo[2.2.1]hepta-2,5-diene)[1,4-bis(diphenylphosphino)butane]rhodium(I) tetrafluoroborate

CAS
82499-43-2
Catalog Number
ACM82499432
Category
Rhodium series of catalysts
Molecular Weight
708.33g/mol
Molecular Formula
C35H36BF4P2Rh-;

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Specification

Synonyms
82499-43-2;(Bicyclo[2.2.1]hepta-2,5-diene)[1,4-bis(diphenylphosphino)butane]rhodium(I) tetrafluoroborate;[rh(nbd)(dppb)]bf4;C35H36BF4P2Rh;DTXSID70451121;2756AC;SC10392;(bicyclo[2.2.1]hepta-2,5-diene)[1,4-bis(diphenylphosphino)butane]rhodium(i)tetrafluoroborate;
IUPAC Name
bicyclo[2.2.1]hepta-2,5-diene;4-diphenylphosphanylbutyl(diphenyl)phosphane;rhodium;tetrafluoroborate;
Canonical SMILES
[B-](F)(F)(F)F.C1C2C=CC1C=C2.C1=CC=C(C=C1)P(CCCCP(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4.[Rh];
InChI
InChI=1S/C28H28P2.C7H8.BF4.Rh/c1-5-15-25(16-6-1)29(26-17-7-2-8-18-26)23-13-14-24-30(27-19-9-3-10-20-27)28-21-11-4-12-22-28;1-2-7-4-3-6(1)5-7;2-1(3,4)5;/h1-12,15-22H,13-14,23-24H2;1-4,6-7H,5H2;;/q;;-1;;
InChI Key
DSKHASOFJSSKTD-UHFFFAOYSA-N;
Storage
2-8°C
Complexity
484
Covalently-Bonded Unit Count
4
Exact Mass
708.138g/mol
Formal Charge
-1
H-Bond Acceptor
5
Heavy Atom Count
43
Monoisotopic Mass
708.138g/mol
Rotatable Bond Count
9
Topological Polar Surface Area
0A^2
January 20, 2023


As an efficient catalyst in experiments
In the experiment, (Bicyclo[2.2.1]hepta-2,5-diene)[1,4-bis(diphenylphosphino)butane]rhodium(I) tetrafluoroborate can efficiently catalyze the hydrogenation of CO2 to formic acid.

What is the molecular formula of (Bicyclo[2.2.1]hepta-2,5-diene)[1,4-bis(diphenylphosphino)butane]rhodium(I) tetrafluoroborate?

The molecular formula is C35H36BF4P2Rh.

What is the molecular weight of the compound?

The molecular weight is 708.3 g/mol.

What are some synonyms for the compound?

Some synonyms include bicyclo[2.2.1]hepta-2,5-diene;4-diphenylphosphanylbutyl(diphenyl)phosphane;rhodium;tetrafluoroborate.

What is the InChIKey of the compound?

The InChIKey is DSKHASOFJSSKTD-UHFFFAOYSA-N.

How many hydrogen bond acceptors are present in the compound?

There are 5 hydrogen bond acceptors.

What is the exact mass of the compound?

The exact mass is 708.13764 g/mol.

How many rotatable bonds are in the compound?

There are 9 rotatable bonds.

What is the topological polar surface area of the compound?

The topological polar surface area is 0-2.

How many covalently-bonded units are present in the compound?

There are 4 covalently-bonded units.

What is the complexity of the compound?

The complexity is 484.

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