dicyclohexyl[9-(3-phenylpropyl)-9H-fluoren-9-yl]phosphanium; tetrafluoroboranuide

• ChemBase ID: 141307
• Molecular Formular: C34H41BF4P
• Molecular Mass: 567.4677138
• Monoisotopic Mass: 567.29750622
• SMILES: [B-](F)(F)(F)F.c1ccc(cc1)CCCC1(c2ccccc2c2c1cccc2)[P+](C1CCCCC1)C1CCCCC1
• Canonical SMILES: C1CCC(CC1)[P+](C1(CCCc2ccccc2)c2ccccc2c2c1cccc2)C1CCCCC1.F[B-](F)(F)F
• InChI: InChI=1S/C34H41P.BF4/c1-4-15-27(16-5-1)17-14-26-34(32-24-12-10-22-30(32)31-23-11-13-25-33(31)34)35(28-18-6-2-7-19-28)29-20-8-3-9-21-29;2-1(3,4)5/h1,4-5,10-13,15-16,22-25,28-29H,2-3,6-9,14,17-21,26H2;/q;-1/p+1
• InChIKey: VBCMIQSEFSKZNU-UHFFFAOYSA-O

NAMES AND DATABASE IDS

Names

• IUPAC name: dicyclohexyl[9-(3-phenylpropyl)-9H-fluoren-9-yl]phosphanium; tetrafluoroboranuide
• IUPAC Traditional name: dicyclohexyl[9-(3-phenylpropyl)fluoren-9-yl]phosphanium tetrafluoroborate
• Synonyms: cataCXium® FPrPh; Dicyclohexyl[9-(3-phenylpropyl)-9-fluorenyl]phosphine tetrafluoroborate; Dicyclohexyl[9-(3-phenylpropyl)-9-fluorenyl]phosphonium tetrafluoroborate; 二环己基[9-(3-苯丙基)-9-芴基]膦四氟硼酸盐; 二环己基[9-(3-苯丙基)-9-芴基]鏻鎓四氟硼酸盐

Database IDs

• CAS Number: 1007311-95-6
• MDL Number: MFCD10567004
• PubChem SID: 162235541
• PubChem CID: 71310594

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 8.898802
• LogD (pH = 7.4): 8.899403
• Log P: 9.3146
• Molar Refractivity: 151.6539 cm^3
• Polarizability: 61.376415 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 7
• 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: 95%
• Empirical Formula (Hill Notation): C34H42BF4P

DETAILS

Sigma Aldrich - 688681

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