tris(3-fluorophenyl)phosphane

• ChemBase ID: 99842
• Molecular Formular: C18H12F3P
• Molecular Mass: 316.2568506
• Monoisotopic Mass: 316.06287167
• SMILES: P(c1cc(ccc1)F)(c1cccc(c1)F)c1cccc(c1)F
• Canonical SMILES: Fc1cccc(c1)P(c1cccc(c1)F)c1cccc(c1)F
• InChI: InChI=1S/C18H12F3P/c19-13-4-1-7-16(10-13)22(17-8-2-5-14(20)11-17)18-9-3-6-15(21)12-18/h1-12H
• InChIKey: CUTRINLXFPIWQB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tris(3-fluorophenyl)phosphane
• IUPAC Traditional name: tris(3-fluorophenyl)phosphane
• Synonyms: Tris(3-fluorophenyl)phosphine 98%; Tri(3-fluorophenyl)phosphine; Tris(3-fluorophenyl)phosphine; 三(3-氟苯基)膦

Database IDs

• CAS Number: 23039-94-3
• MDL Number: MFCD00015722
• Beilstein Number: 2946854
• PubChem SID: 162086089
• PubChem CID: 140988

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 5.5251
• LogD (pH = 7.4): 5.5251
• Log P: 5.5251
• Molar Refractivity: 82.2721 cm^3
• Polarizability: 31.21208 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 60-63°C; 62-63°C

Safety Information

• Storage Warning: Air Sensitive; Irritant
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: 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%