bis(pentafluorophenyl)(phenyl)phosphane

• ChemBase ID: 99886
• Molecular Formular: C18H5F10P
• Molecular Mass: 442.190093
• Monoisotopic Mass: 441.99691899
• SMILES: P(c1ccccc1)(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)c2ccccc2)c(F)c(c(c1F)F)F
• InChI: InChI=1S/C18H5F10P/c19-7-9(21)13(25)17(14(26)10(7)22)29(6-4-2-1-3-5-6)18-15(27)11(23)8(20)12(24)16(18)28/h1-5H
• InChIKey: OYNXPGGNQMSMTR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: bis(pentafluorophenyl)(phenyl)phosphane
• IUPAC Traditional name: bis(pentafluorophenyl)(phenyl)phosphane
• Synonyms: Bis(pentafluorophenyl)phenylphosphine; Bis(perfluorophenyl)phenylphosphine; DFTPP; Massmark 443; Decafluorotriphenylphosphine; Phenylbis(pentafluorophenyl)phosphine; 2,3,4,5,6,2′,3′,4′,5′,6′-Decafluorotriphenylphosphine; Bis(pentafluorophenyl)phenylphosphine; Decafluorotriphenylphosphine; 2,3,4,5,6,2′,3′,4′,5′,6′-十氟三苯基膦; 双(五氟苯基)苯膦; 双(五氟苯基)苯膦; 十氟三苯基磷

Database IDs

• CAS Number: 5074-71-5
• EC Number: 225-780-1
• MDL Number: MFCD00000291
• Beilstein Number: 6253897
• PubChem SID: 24853303; 24888583; 24867900; 162086133
• PubChem CID: 78757

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 6.5016
• LogD (pH = 7.4): 6.5016
• Log P: 6.5016
• Molar Refractivity: 83.7869 cm^3
• Polarizability: 30.180931 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 55-60 °C; 55-60 °C(lit.); 55-65°C; 59-64°C
• Boiling Point: 105°C/0.2mm; 105°C/0.3mm
• Flash Point: >110°C; >110°C(230°F); 113 °C; 235 °F; 235.4 °F

Safety Information

• Storage Warning: Harmful/Irritant
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36/37/39; 26-37
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338; P261-P305+P351+P338-P302+P352-P321-P405-P501A
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: 90%; 97%
• Grade: analytical standard; analytical standard, for mass spectrometry; technical grade
• Packaging: ampule of 100 mg
• Linear Formula: C6H5P(C6F5)2

DETAILS

Apollo Scientific Ltd - PC7946

Fluorinated mass marker up to mass 443

Sigma Aldrich - 221961

Application
A calibration standard for the ion-abundance scales and performance evaluations of GC-MS instruments.