(pentafluorophenyl)diphenylphosphane

• ChemBase ID: 7903
• Molecular Formular: C18H10F5P
• Molecular Mass: 352.237777
• Monoisotopic Mass: 352.04402805
• SMILES: P(c1c(c(c(c(c1F)F)F)F)F)(c1ccccc1)c1ccccc1
• Canonical SMILES: Fc1c(P(c2ccccc2)c2ccccc2)c(F)c(c(c1F)F)F
• InChI: InChI=1S/C18H10F5P/c19-13-14(20)16(22)18(17(23)15(13)21)24(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H
• InChIKey: KUTXTUCJQJPJBH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (pentafluorophenyl)diphenylphosphane
• IUPAC Traditional name: (pentafluorophenyl)diphenylphosphane
• Synonyms: Diphenylpentafluorophenylphosphine; (Pentafluorophenyl)diphenylphosphine; Diphenylpentafluorophenylphosphine; Diphenyl(pentafluorophenyl)phosphine 98%; (五氟苯基)二苯基膦

Database IDs

• CAS Number: 5525-95-1
• MDL Number: MFCD00000290
• PubChem SID: 160971210
• PubChem CID: 300563

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 5.8041
• LogD (pH = 7.4): 5.8041
• Log P: 5.8041
• Molar Refractivity: 82.7049 cm^3
• Polarizability: 30.732363 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 70-72°C; 70-72°C

Safety Information

• Storage Warning: IRRITANT; Irritant
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: false; 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 97%; 98%

DETAILS

Apollo Scientific Ltd - PC5665

Effects anti-Markovnikov hydration of acetylenes to aldehydes: Tokunaga & Watatsuki, Angew. Chem. Int. Ed., 1998,37,2867.