λ1-rhodium(1+) ion bis((1Z,5Z)-cycloocta-1,5-diene) trifluoromethanesulfonate

• ChemBase ID: 94690
• Molecular Formular: C17H24F3O3RhS
• Molecular Mass: 468.3363696
• Monoisotopic Mass: 468.04532929
• SMILES: [Rh+].S(=O)(=O)(C(F)(F)F)[O-].C1=CCCC=CCC1.C1=CCCC=CCC1
• Canonical SMILES: C1CC=CCCC=C1.C1CC=CCCC=C1.FC(S(=O)(=O)[O-])(F)F.[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);/q;;;+1/p-1
• InChIKey: GOPBTCMAUMSOBX-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: λ^1-rhodium(1+) ion bis((1Z,5Z)-cycloocta-1,5-diene) trifluoromethanesulfonate; rhodium(1+) ion bis(cycloocta-1,5-diene) trifluoromethanesulfonate; λ^1-rhodium(1+) ion bis(cycloocta-1,5-diene) trifluoromethanesulfonate
• IUPAC Traditional name: λ^1-rhodium(1+) ion bis(1,5-cyclooctadiene, (Z,Z)-) triflate; rhodium(1+) ion bis(1,5-cyclooctadiene) triflate; λ^1-rhodium(1+) ion bis(1,5-cyclooctadiene) triflate
• Synonyms: Bis(1,5-cyclooctadiene)rhodium(I)trifluoromethanesulfonate; Bis(1,5-cyclooctadiene)rhodium(I) triflate; Bis(1,5-cyclooctadiene)rhodium(I) trifluoromethane sulphonate 98+%; Bis(1,5-cyclooctadiene)rhodium triflate; Bis(1,5-cyclooctadiene)rhodium(I) trifluoromethanesulfonate; 双(1,5-环辛二烯)三氟甲磺酸铑(I)

Database IDs

• CAS Number: 99326-34-8
• MDL Number: MFCD00143752
• PubChem SID: 24877779; 162081344
• PubChem CID: 5702638

CALCULATED PROPERTIES

• Acid pKa: -3.4301212
• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.832706
• LogD (pH = 7.4): 2.832706
• Log P: 2.832706
• Molar Refractivity: 39.0412 cm^3
• Polarizability: 14.319889 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Soluble in chloroform
• Apperance: Crystalline, Packaged under argon
• Melting Point: 159 °C (dec. literature value)(lit.); 83-97 °C (dec. experimental value)

Safety Information

• Storage Warning: Air Sensitive; Irritant
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26; 26-37
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338; P261-P305+P351+P338-P302+P352-P321-P405-P501A
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: 98%
• Empirical Formula (Hill Notation): C17H24F3O3RhS

DETAILS

Sigma Aldrich - 530840

Packaging
1 g in glass bottle
Application
Umicore Precatalysts for Asymmetric and Cross-Coupling Catalysis

Sigma Aldrich - 683159

Packaging
2 g in glass bottle
500 mg in glass bottle
Legal Information
Product of Umicore
Application
Umicore Precatalysts for Asymmetric and Cross-Coupling Catalysis