benzyldiphenylphosphane

• ChemBase ID: 146911
• Molecular Formular: C19H17P
• Molecular Mass: 276.312041
• Monoisotopic Mass: 276.10678717
• SMILES: c1ccc(cc1)CP(c1ccccc1)c1ccccc1
• Canonical SMILES: c1ccc(cc1)CP(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C19H17P/c1-4-10-17(11-5-1)16-20(18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-15H,16H2
• InChIKey: UZCPNEBHTFYJNY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: benzyldiphenylphosphane
• IUPAC Traditional name: benzyldiphenylphosphane
• Synonyms: Benzyldiphenylphosphine; 苄基二苯膦; 苄基二苯基膦

Database IDs

• CAS Number: 7650-91-1
• MDL Number: MFCD00014083
• PubChem SID: 24872282; 162241103
• PubChem CID: 603920

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 5.4165
• LogD (pH = 7.4): 5.4165
• Log P: 5.4165
• Molar Refractivity: 86.3595 cm^3
• Polarizability: 34.199017 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Apperance: Powder
• Melting Point: 74-75°C; 77-83 °C(lit.)

Safety Information

• Storage Warning: Air Sensitive
• German water hazard class: 3
• TSCA Listed: 否
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: 99%
• Linear Formula: C6H5CH2P(C6H5)2

DETAILS

Sigma Aldrich - 487546

Packaging
5 g in glass bottle
Application
Catalyst for:
• Suzuki cross-coupling1
• Antiarthritic agent (inhibitor of cathepsin B)2