dicyclohexyl[2,4,6-tris(propan-2-yl)phenyl]phosphane

• ChemBase ID: 141715
• Molecular Formular: C27H45P
• Molecular Mass: 400.619961
• Monoisotopic Mass: 400.32588807
• SMILES: CC(C)c1cc(c(c(c1)C(C)C)P(C1CCCCC1)C1CCCCC1)C(C)C
• Canonical SMILES: CC(c1cc(cc(c1P(C1CCCCC1)C1CCCCC1)C(C)C)C(C)C)C
• InChI: InChI=1S/C27H45P/c1-19(2)22-17-25(20(3)4)27(26(18-22)21(5)6)28(23-13-9-7-10-14-23)24-15-11-8-12-16-24/h17-21,23-24H,7-16H2,1-6H3
• InChIKey: DTSPXGRQYHLKLO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dicyclohexyl[2,4,6-tris(propan-2-yl)phenyl]phosphane
• IUPAC Traditional name: dicyclohexyl(2,4,6-triisopropylphenyl)phosphane
• Synonyms: Dicyclohexyl[2,4,6-tris(1-methylethyl)phenyl]phosphine; ((2,4,6-Tri-isopropyl)phenyl)di-cyclohexylphosphine; ((2,4,6-三异丙基)苯基)二-环己基膦

Database IDs

• CAS Number: 303111-96-8
• MDL Number: MFCD11656073
• PubChem SID: 162235949
• PubChem CID: 9801140

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 8.42296
• LogD (pH = 7.4): 8.492875
• Log P: 8.7104
• Molar Refractivity: 126.5701 cm^3
• Polarizability: 50.120037 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 138-140 °C

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: 97%
• Empirical Formula (Hill Notation): C27H45P

DETAILS

Sigma Aldrich - 701289

Packaging
500 mg in glass bottle
Application
Catalyst for oxidation of alcohols and hydrodechlorination of chloroarenes1