2-(diphenylphosphanyl)phenol

• ChemBase ID: 143579
• Molecular Formular: C18H15OP
• Molecular Mass: 278.284861
• Monoisotopic Mass: 278.08605173
• SMILES: c1ccc(cc1)P(c1ccccc1)c1ccccc1O
• Canonical SMILES: Oc1ccccc1P(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C18H15OP/c19-17-13-7-8-14-18(17)20(15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-14,19H
• InChIKey: HGHOYIFINVBZKO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(diphenylphosphanyl)phenol
• IUPAC Traditional name: 2-(diphenylphosphanyl)phenol
• Synonyms: (2-Diphenylphosphino)phenol; (o-Diphenylphosphino)phenol; (o-Hydroxyphenol)diphenylphosphine; (2-Hydroxyphenyl)diphenylphosphine; (2-二苯基膦基)苯酚; (邻二苯基膦基)苯酚; (邻羟基苯酚)二苯基膦; (2-羟基苯基)二苯基膦

Database IDs

• CAS Number: 60254-10-6
• MDL Number: MFCD00015846
• PubChem SID: 162237797
• PubChem CID: 450336

CALCULATED PROPERTIES

• Acid pKa: 9.308372
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 4.8221326
• LogD (pH = 7.4): 4.8168836
• Log P: 4.8222
• Molar Refractivity: 83.6038 cm^3
• Polarizability: 32.887287 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 142-150 °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-H413
• GHS Precautionary statements: P261-P305 + P351 + P338

Product Information

• Purity: 97%
• Empirical Formula (Hill Notation): C18H15OP

DETAILS

Sigma Aldrich - 723932

Packaging
1 g in glass bottle
Application
Catalyst for:
• Preparation of hydroxy(phosphinoxy)biphenyls1
• Formation of ethylene copolymers2
• Copolymerization of ethylene with linear olefins3
• Silylation of aryl halides4