{2-[bis(pentafluorophenyl)phosphanyl]ethyl}bis(pentafluorophenyl)phosphane

• ChemBase ID: 94094
• Molecular Formular: C26H4F20P2
• Molecular Mass: 758.225546
• Monoisotopic Mass: 757.94688779
• SMILES: P(c1c(c(c(c(c1F)F)F)F)F)(c1c(c(c(c(c1F)F)F)F)F)CCP(c1c(c(c(c(c1F)F)F)F)F)c1c(c(c(c(c1F)F)F)F)F
• Canonical SMILES: Fc1c(P(c2c(F)c(F)c(c(c2F)F)F)CCP(c2c(F)c(F)c(c(c2F)F)F)c2c(F)c(F)c(c(c2F)F)F)c(F)c(c(c1F)F)F
• InChI: InChI=1S/C26H4F20P2/c27-3-7(31)15(39)23(16(40)8(3)32)47(24-17(41)9(33)4(28)10(34)18(24)42)1-2-48(25-19(43)11(35)5(29)12(36)20(25)44)26-21(45)13(37)6(30)14(38)22(26)46/h1-2H2
• InChIKey: IGLFIYOFKVGEBP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {2-[bis(pentafluorophenyl)phosphanyl]ethyl}bis(pentafluorophenyl)phosphane
• IUPAC Traditional name: {2-[bis(pentafluorophenyl)phosphanyl]ethyl}bis(pentafluorophenyl)phosphane
• Synonyms: 1,2-Bis(dipentafluorophenylphosphino)ethane; 1,2-Ethanediylbis[bis(pentafluorophenyl)phosphine; Bis(dipentafluorophenylphosphine)ethane; Dfppe; 1,2-Bis[bis(pentafluorophenyl)phosphino]ethane; 1,2-Bis[bis(pentafluorophenyl)phosphino]ethane; Ethane-1,2-diylbis[bis(pentafluorophenyl)phosphane]; 1,2-Bis[bis(perfluorophenyl)phosphino]ethane 98%; 1,2-Bis(dipentafluorophenylphosphino)ethane; 1,2-双(二五氟代苯基磷基)-乙烷; 1,2-双(二五氟苯基磷)乙烷

Database IDs

• CAS Number: 76858-94-1
• MDL Number: MFCD00058841
• PubChem SID: 24872373; 162080749
• PubChem CID: 2734566

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 9.6028
• LogD (pH = 7.4): 9.6028
• Log P: 9.6028
• Molar Refractivity: 126.1608 cm^3
• Polarizability: 45.24912 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Apperance: Crystalline
• Melting Point: 185-190°C; 188-190°C; 192-195 °C(lit.)

Safety Information

• Storage Warning: Irritant/Air Sensitive/Moisture Sensitive/Store under Argon
• European Hazard Symbols: Toxic (T)
• UN Number: UN3464
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: III
• Risk Statements: 25-36/37/38
• Safety Statements: 20-26-36/37-45-60
• TSCA Listed: 否
• GHS Pictograms: GHS06
• GHS Hazard statements: H301-H315-H319-H335
• GHS Precautionary statements: P261-P301+P310-P305+P351+P338-P302+P352-P405-P501A
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: 99%
• Linear Formula: [(C6F5)2PCH2-]2

DETAILS

Sigma Aldrich - 488143

Packaging
1 g in glass bottle