1-[2-(2,5-diethylphospholan-1-yl)phenyl]-2,5-diethylphospholane

• ChemBase ID: 301442
• Molecular Formular: C22H36P2
• Molecular Mass: 362.468762
• Monoisotopic Mass: 362.22922441
• SMILES: CCC1CCC(P1c1ccccc1P1C(CCC1CC)CC)CC
• Canonical SMILES: CCC1CCC(P1c1ccccc1P1C(CC)CCC1CC)CC
• InChI: InChI=1S/C22H36P2/c1-5-17-13-14-18(6-2)23(17)21-11-9-10-12-22(21)24-19(7-3)15-16-20(24)8-4/h9-12,17-20H,5-8,13-16H2,1-4H3
• InChIKey: GVVCHDNSTMEUCS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[2-(2,5-diethylphospholan-1-yl)phenyl]-2,5-diethylphospholane
• IUPAC Traditional name: 1-[2-(2,5-diethylphospholan-1-yl)phenyl]-2,5-diethylphospholane
• Synonyms: (R,R)-Ethyl-DuPhos; (-)-1,2-Bis[(2R,5R)-2,5-diethyl-1-phospholanyl]benzene; (S,S)-Ethyl-DuPhos; (+)-1,2-Bis[(2S,5S)-2,5-diethyl-1-phospholanyl]benzene

Database IDs

• CAS Number: 136779-28-7; 136705-64-1
• MDL Number: MFCD00142321; MFCD00142335
• Beilstein Number: 4814174

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 5.78217
• LogD (pH = 7.4): 6.0301037
• Log P: 6.0478
• Molar Refractivity: 108.7338 cm^3
• Polarizability: 43.824978 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Flash Point: >110°C(230°F)
• Density: 1.01
• Refractive Index: 1.5810; 1.6000
• Optical Rotation: +265 (c=1 in hexane); -265 (c=1 in hexane)

Safety Information

• Storage Warning: Air Sensitive
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 23-26-37-60
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501

Product Information

• Purity: 97+%