4-(diphenylphosphanyl)phenol

• ChemBase ID: 151825
• Molecular Formular: C18H15OP
• Molecular Mass: 278.284861
• Monoisotopic Mass: 278.08605173
• SMILES: c1ccc(cc1)P(c1ccccc1)c1ccc(cc1)O
• Canonical SMILES: Oc1ccc(cc1)P(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C18H15OP/c19-15-11-13-18(14-12-15)20(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-14,19H
• InChIKey: QOPABJOZVXZFJG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(diphenylphosphanyl)phenol
• IUPAC Traditional name: 4-(diphenylphosphanyl)phenol
• Synonyms: 4-(Diphenylphosphino)phenol; (p-Hydroxyphenyl)diphenylphosphine; (4-Hydroxyphenyl)diphenylphosphine; (对羟基苯基)二苯基膦; (4-羟基苯基)二苯基膦

Database IDs

• CAS Number: 5068-21-3
• MDL Number: MFCD00775358
• PubChem SID: 24880388; 162245971
• PubChem CID: 3328702

CALCULATED PROPERTIES

• Acid pKa: 9.608198
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 4.8221664
• LogD (pH = 7.4): 4.819526
• Log P: 4.8222
• Molar Refractivity: 83.6038 cm^3
• Polarizability: 32.886147 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 105-110 °C(lit.)

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: 98%
• Linear Formula: (C6H5)2PC6H4OH

DETAILS

Sigma Aldrich - 567728

Packaging
1 g in glass bottle