[2,6-bis(propan-2-yl)phenyl]dicyclohexylphosphane

• ChemBase ID: 141258
• Molecular Formular: C24H39P
• Molecular Mass: 358.540221
• Monoisotopic Mass: 358.27893788
• SMILES: CC(C)c1cccc(c1P(C1CCCCC1)C1CCCCC1)C(C)C
• Canonical SMILES: CC(c1cccc(c1P(C1CCCCC1)C1CCCCC1)C(C)C)C
• InChI: InChI=1S/C24H39P/c1-18(2)22-16-11-17-23(19(3)4)24(22)25(20-12-7-5-8-13-20)21-14-9-6-10-15-21/h11,16-21H,5-10,12-15H2,1-4H3
• InChIKey: BTJYWUVKNAFRBF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2,6-bis(propan-2-yl)phenyl]dicyclohexylphosphane
• IUPAC Traditional name: dicyclohexyl(2,6-diisopropylphenyl)phosphane
• Synonyms: [2,6-Bis(1-methylethyl)phenyl]dicyclohexylphosphine; Dicyclohexyl-(2,6-diisopropylphenyl)phosphine; 二环己基-(2,6-二异丙基苯基)膦

Database IDs

• CAS Number: 1053657-07-0
• MDL Number: MFCD11044867
• PubChem SID: 162235493
• PubChem CID: 20675452

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 7.180005
• LogD (pH = 7.4): 7.3224077
• Log P: 7.5164
• Molar Refractivity: 112.3793 cm^3
• Polarizability: 44.66265 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 96-100 °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): C24H39P

DETAILS

Sigma Aldrich - 698814

Packaging
1 g in glass bottle
250 mg in glass bottle