dicyclohexyl[2-(2-methylphenyl)phenyl]phosphane

• ChemBase ID: 10438
• Molecular Formular: C25H33P
• Molecular Mass: 364.503281
• Monoisotopic Mass: 364.23198769
• SMILES: C1(P(c2ccccc2c2c(cccc2)C)C2CCCCC2)CCCCC1
• Canonical SMILES: Cc1ccccc1c1ccccc1P(C1CCCCC1)C1CCCCC1
• InChI: InChI=1S/C25H33P/c1-20-12-8-9-17-23(20)24-18-10-11-19-25(24)26(21-13-4-2-5-14-21)22-15-6-3-7-16-22/h8-12,17-19,21-22H,2-7,13-16H2,1H3
• InChIKey: GPVWUKXZFDHGMZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dicyclohexyl[2-(2-methylphenyl)phenyl]phosphane
• IUPAC Traditional name: dicyclohexyl[2-(2-methylphenyl)phenyl]phosphane
• Synonyms: 2-(Dicyclohexylphosphino)-2'-methylbiphenyl; MePhos; MebiphPCy2; 2-Methyl-2′-dicyclohexylphosphinobiphenyl; 2-Dicyclohexylphosphino-2′-methylbiphenyl; 2-(Dicyclohexylphosphino)-2'-methyl-biphenyl; 2-甲基-2′-二环己基膦联苯; 2-二环己基磷-2′-甲基联苯

Database IDs

• CAS Number: 251320-86-2
• MDL Number: MFCD03094577
• PubChem SID: 160973745
• PubChem CID: 2734938

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 6.8514667
• LogD (pH = 7.4): 7.0301123
• Log P: 7.28
• Molar Refractivity: 114.1751 cm^3
• Polarizability: 46.5758 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 105-109 °C; 107-110°C
• Ligand For: Arylations; Buchwald-Hartwig Cross Coupling Reaction; Suzuki-Miyaura Coupling

Safety Information

• Storage Warning: IRRITANT
• German water hazard class: 3
• TSCA Listed: false

Product Information

• Purity: 97%; 98%; 99%
• Empirical Formula (Hill Notation): C25H33P

DETAILS

Sigma Aldrich - 695262

Packaging
1, 5 g in glass bottle
Legal Information
Usage subject to US Patents 6307087 and 6395916.