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

• ChemBase ID: 141311
• Molecular Formular: C29H39BF4P
• Molecular Mass: 505.3983338
• Monoisotopic Mass: 505.28185616
• SMILES: [B-](F)(F)(F)F.CCCCC1(c2ccccc2c2c1cccc2)[P+](C1CCCCC1)C1CCCCC1
• Canonical SMILES: F[B-](F)(F)F.CCCCC1(c2ccccc2c2c1cccc2)[P+](C1CCCCC1)C1CCCCC1
• InChI: InChI=1S/C29H39P.BF4/c1-2-3-22-29(27-20-12-10-18-25(27)26-19-11-13-21-28(26)29)30(23-14-6-4-7-15-23)24-16-8-5-9-17-24;2-1(3,4)5/h10-13,18-21,23-24H,2-9,14-17,22H2,1H3;/q;-1/p+1
• InChIKey: CBQHWERYDVYPPB-UHFFFAOYSA-O

NAMES AND DATABASE IDS

Names

• IUPAC name: (9-butyl-9H-fluoren-9-yl)dicyclohexylphosphanium; tetrafluoroboranuide
• IUPAC Traditional name: (9-butylfluoren-9-yl)dicyclohexylphosphanium tetrafluoroborate
• Synonyms: (9-Butyl-9-fluorenyl)dicyclohexylphosphine tetrafluoroborate; (9-Butyl-9-fluorenyl)dicyclohexylphosphonium tetrafluoroborate; cataCXium® FBu; (9-丁基-9-芴基)二环己基膦四氟硼酸酯; (9-丁基-9-芴基)二环己基磷四氟硼酸酯

Database IDs

• CAS Number: 1007311-98-9
• MDL Number: MFCD10566979
• PubChem SID: 162235545
• PubChem CID: 71310597

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 7.7649956
• LogD (pH = 7.4): 7.7654257
• Log P: 8.0974
• Molar Refractivity: 131.5589 cm^3
• Polarizability: 53.65765 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 6
• 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): C29H40BF4P

DETAILS

Sigma Aldrich - 672785

General description
sold in collaboration with Solvias AG
Packaging
1, 5 g in glass bottle
Legal Information
cataCXium is a registered trademark of Evonik Degussa GmbH
Protocols & Applications
Efficient Suzuki Coupling with cataCXium Ligands and Complexes