(9-benzyl-9H-fluoren-9-yl)dicyclohexylphosphanium; tetrafluoroboranuide

• ChemBase ID: 141310
• Molecular Formular: C32H37BF4P
• Molecular Mass: 539.4145538
• Monoisotopic Mass: 539.26620609
• SMILES: [B-](F)(F)(F)F.c1ccc(cc1)CC1(c2ccccc2c2c1cccc2)[P+](C1CCCCC1)C1CCCCC1
• Canonical SMILES: C1CCC(CC1)[P+](C1(Cc2ccccc2)c2ccccc2c2c1cccc2)C1CCCCC1.F[B-](F)(F)F
• InChI: InChI=1S/C32H37P.BF4/c1-4-14-25(15-5-1)24-32(30-22-12-10-20-28(30)29-21-11-13-23-31(29)32)33(26-16-6-2-7-17-26)27-18-8-3-9-19-27;2-1(3,4)5/h1,4-5,10-15,20-23,26-27H,2-3,6-9,16-19,24H2;/q;-1/p+1
• InChIKey: TXCRCYKOFGNXQO-UHFFFAOYSA-O

NAMES AND DATABASE IDS

Names

• IUPAC name: (9-benzyl-9H-fluoren-9-yl)dicyclohexylphosphanium; tetrafluoroboranuide
• IUPAC Traditional name: (9-benzylfluoren-9-yl)dicyclohexylphosphanium tetrafluoroborate
• Synonyms: Dicyclohexyl[9-(phenylmethyl)-9H-fluoren-9-yl]phosphine tetrafluoroborate; cataCXium® FBn; (9-Benzyl-9-fluorenyl)dicyclohexylphosphine tetrafluoroborate; (9-Benzyl-9-fluorenyl)dicyclohexylphosphonium tetrafluoroborate; (9-苄基-9-芴基)二环己基膦四氟硼酸盐; 二环己基(9-苯甲基芴-9-基)四氟硼酸磷

Database IDs

• CAS Number: 937378-18-2
• MDL Number: MFCD10567010
• PubChem SID: 162235544
• PubChem CID: 57356036

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 8.009667
• LogD (pH = 7.4): 8.010488
• Log P: 8.522
• Molar Refractivity: 142.4519 cm^3
• Polarizability: 57.679703 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

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

Product Information

• Purity: 97%
• Empirical Formula (Hill Notation): C32H38BF4P

DETAILS

Sigma Aldrich - 691100

General description
sold in collaboration with Solvias AG
Packaging
1, 5 g in glass bottle
Application
Catalyst for Sonogashira, Suzuki, and Buchwald-Hartwig coupling reactions1
Legal Information
cataCXium is a registered trademark of Evonik Degussa GmbH