bromobis(pentafluorophenyl)phosphane

• ChemBase ID: 99256
• Molecular Formular: C12BrF10P
• Molecular Mass: 444.990193
• Monoisotopic Mass: 443.87613083
• SMILES: P(c1c(c(c(c(c1F)F)F)F)F)(c1c(c(c(c(c1F)F)F)F)F)Br
• Canonical SMILES: BrP(c1c(F)c(F)c(c(c1F)F)F)c1c(F)c(F)c(c(c1F)F)F
• InChI: InChI=1S/C12BrF10P/c13-24(11-7(20)3(16)1(14)4(17)8(11)21)12-9(22)5(18)2(15)6(19)10(12)23
• InChIKey: WDFHFZAPZSABGO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: bromobis(pentafluorophenyl)phosphane
• IUPAC Traditional name: bromobis(pentafluorophenyl)phosphane
• Synonyms: Bis(pentafluorophenyl)phosphinous bromide; Bis(perfluorophenyl)bromophosphine

Database IDs

• CAS Number: 13648-79-8
• MDL Number: MFCD09763603
• PubChem SID: 162085540
• PubChem CID: 550610

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 5.8345
• LogD (pH = 7.4): 5.8345
• Log P: 5.8345
• Molar Refractivity: 67.0478 cm^3
• Polarizability: 24.467192 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Boiling Point: 112-114°C/0.5mm
• Flash Point: >110°C

Safety Information

• Storage Warning: Irritant