2-[2-(diphenylphosphanyl)ethyl]pyridine

• ChemBase ID: 141529
• Molecular Formular: C19H18NP
• Molecular Mass: 291.326681
• Monoisotopic Mass: 291.11768621
• SMILES: c1ccc(cc1)P(CCc1ccccn1)c1ccccc1
• Canonical SMILES: c1ccc(nc1)CCP(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C19H18NP/c1-3-10-18(11-4-1)21(19-12-5-2-6-13-19)16-14-17-9-7-8-15-20-17/h1-13,15H,14,16H2
• InChIKey: ARSGXAZDYSTSKI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[2-(diphenylphosphanyl)ethyl]pyridine
• IUPAC Traditional name: 2-[2-(diphenylphosphanyl)ethyl]pyridine
• Synonyms: 1-(Diphenylphosphino)-2-(2-pyridyl)ethane; Diphenyl(2-(pyridin-2-yl)ethyl)phosphine; 2-(2-(Diphenylphosphino)ethyl)pyridine; 2-(2-(二苯基膦基)乙基)吡啶

Database IDs

• CAS Number: 10150-27-3
• MDL Number: MFCD00482303
• PubChem SID: 162235763
• PubChem CID: 611860

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.1271763
• LogD (pH = 7.4): 4.4304457
• Log P: 4.4362
• Molar Refractivity: 88.3798 cm^3
• Polarizability: 35.017437 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 58-62 °C

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

• Empirical Formula (Hill Notation): C19H18NP

DETAILS

Sigma Aldrich - 695599

Packaging
100, 500 mg in glass bottle
Legal Information
Sold under license from Kanata Chemical Technologies Inc. for research purposes only.