λ1-rhodium(1+) ion bis((1s,4s)-bicyclo[2.2.1]hepta-2,5-diene) tetrafluoroboranuide

• ChemBase ID: 141486
• Molecular Formular: C14H16BF4Rh
• Molecular Mass: 373.9869528
• Monoisotopic Mass: 374.03362279
• SMILES: [B-](F)(F)(F)F.C1[C@H]2C=C[C@@H]1C=C2.C1[C@H]2C=C[C@@H]1C=C2.[Rh+]
• Canonical SMILES: C1=C[C@@H]2C[C@H]1C=C2.C1=C[C@@H]2C[C@H]1C=C2.F[B-](F)(F)F.[Rh+]
• InChI: InChI=1S/2C7H8.BF4.Rh/c2*1-2-7-4-3-6(1)5-7;2-1(3,4)5;/h2*1-4,6-7H,5H2;;/q;;-1;+1/t2*6-,7+
• InChIKey: HAYDJWBQWOEERB-JAGGYEKFSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: λ^1-rhodium(1+) ion bis((1s,4s)-bicyclo[2.2.1]hepta-2,5-diene) tetrafluoroboranuide
• IUPAC Traditional name: λ^1-rhodium(1+) ion bis((1s,4s)-bicyclo[2.2.1]hepta-2,5-diene) tetrafluoroborate
• Synonyms: Bis(bicyclo[2.2.1]hepta-2,5-diene)rhodium tetrafluoroborate; Bis(norbornadiene)(tetrafluoroborato)rhodium; Rh(nbd)2BF4; Bis(norbornadiene)rhodium(I) tetrafluoroborate; 双(降冰片二烯)四氟硼酸铑(I)

Database IDs

• CAS Number: 36620-11-8
• MDL Number: MFCD00671775
• PubChem SID: 162235720
• PubChem CID: 10915722

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.6093123
• LogD (pH = 7.4): 1.6093123
• Log P: 1.6093123
• Molar Refractivity: 32.5332 cm^3
• Polarizability: 11.724419 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 136.9-139.9 °C

Safety Information

• European Hazard Symbols: Corrosive (C)
• UN Number: 1759
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 2
• Risk Statements: 34
• Safety Statements: 26-36/37/39-45
• GHS Pictograms: GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: H314
• GHS Precautionary statements: P280-P305 + P351 + P338-P310
• Personal Protective Equipment: Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges
• RID/ADR: UN 1759 8/PG 2

Product Information

• Linear Formula: [Rh(NBD)BF4

DETAILS

Sigma Aldrich - 683175

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