Bis(1,5-cyclooctadiene)rhodium(I) trifluoromethanesulfonate

• CAS: 99326-34-8
• Catalog Number: ACM99326348-2
• Category: Rhodium series of catalysts
• Molecular Weight: 468.34
• Molecular Formula: C17H24F3O3RhS
• Synonyms: (1Z,5Z)-cycloocta-1,5-diene;rhodium;trifluoromethanesulfonate
• IUPAC Name: (1Z,5Z)-cycloocta-1,5-diene;rhodium;trifluoromethanesulfonate
• Canonical SMILES: C1CC=CCCC=C1.C1CC=CCCC=C1.C(F)(F)(F)S(=O)(=O)[O-].[Rh]
• InChI: InChI=1S/2C8H12.CHF3O3S.Rh/c2*1-2-4-6-8-7-5-3-1;2-1(3,4)8(5,6)7;/h2*1-2,7-8H,3-6H2;(H,5,6,7);/p-1/b2*2-1-,8-7-
• InChI Key: VUTUHLLWFPRWMT-QMDOQEJBSA-M
• Melting Point: 159 °C
• Appearance: Red brown powder
• Application: Asymmetric Reactions; C-H Activation; Hydroformylation; Hydrogenation→Asymmetric Hydrogenation
• Storage: Refrigerator (+4°C)
• Color/Form: crystalline
• Complexity: 217
• Covalently-Bonded Unit Count: 4
• Defined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 4
• Exact Mass: 468.04532
• Formal Charge: -1
• H-Bond Acceptor: 6
• Heavy Atom Count: 25
• Hydrogen Bond Acceptor Count: 6
• Hydrogen Bond Donor Count: 0
• Isomeric SMILES: C1/C=C\CC/C=C\C1.C1/C=C\CC/C=C\C1.C(S(=O)(=O)[O-])(F)(F)F.[Rh]
• Monoisotopic Mass: 468.04532
• Rotatable Bond Count: 0
• Topological Polar Surface Area: 65.6 Ų

Custom Reviews

January 20, 2023

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Great effect in the catalytic formylation reaction
Bis(1,5-cyclooctadiene)rhodium(I) trifluoromethanesulfonate can catalyze hydroformylation reaction with high efficiency.

Custom Q&A

What is the molecular formula of Bis(1,5-cyclooctadiene)rhodium(I) trifluoromethanesulfonate?

The molecular formula is C17H24F3O3RhS.

What is the molecular weight of Bis(1,5-cyclooctadiene)rhodium(I) trifluoromethanesulfonate?

The molecular weight is 468.3 g/mol.

What are the synonyms of Bis(1,5-cyclooctadiene)rhodium(I) trifluoromethanesulfonate?

The synonyms include [rh(cod)2]otf and Bis(1,5-cyclooctadiene)rhodium(I)trifluoromethanesulfonate.

What is the IUPAC name of Bis(1,5-cyclooctadiene)rhodium(I) trifluoromethanesulfonate?

The IUPAC name is (1Z,5Z)-cycloocta-1,5-diene;rhodium;trifluoromethanesulfonate.

What is the InChI key of Bis(1,5-cyclooctadiene)rhodium(I) trifluoromethanesulfonate?

The InChI key is VUTUHLLWFPRWMT-QMDOQEJBSA-M.

What is the CAS number of Bis(1,5-cyclooctadiene)rhodium(I) trifluoromethanesulfonate?

The CAS number is 99326-34-8.

What is the hydrogen bond donor count of Bis(1,5-cyclooctadiene)rhodium(I) trifluoromethanesulfonate?

The hydrogen bond donor count is 0.

What is the hydrogen bond acceptor count of Bis(1,5-cyclooctadiene)rhodium(I) trifluoromethanesulfonate?

The hydrogen bond acceptor count is 6.

What is the rotatable bond count of Bis(1,5-cyclooctadiene)rhodium(I) trifluoromethanesulfonate?

The rotatable bond count is 0.

Is Bis(1,5-cyclooctadiene)rhodium(I) trifluoromethanesulfonate a canonicalized compound?

Yes, Bis(1,5-cyclooctadiene)rhodium(I) trifluoromethanesulfonate is a canonicalized compound.