bis(pentafluorophenyl)zinc

• ChemBase ID: 151710
• Molecular Formular: C12F10Zn
• Molecular Mass: 399.492432
• Monoisotopic Mass: 397.9131742
• SMILES: c1(c(c(c(c(c1F)F)[Zn]c1c(c(c(c(c1F)F)F)F)F)F)F)F
• Canonical SMILES: Fc1c([Zn]c2c(F)c(F)c(c(c2F)F)F)c(F)c(c(c1F)F)F
• InChI: InChI=1S/2C6F5.Zn/c2*7-2-1-3(8)5(10)6(11)4(2)9
• InChIKey: RKAUXNIMJYZJDE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: bis(pentafluorophenyl)zinc
• IUPAC Traditional name: bis(pentafluorophenyl)zinc
• Synonyms: Bis(pentafluorophenyl)zinc; 二(五氟苯基)锌

Database IDs

• CAS Number: 1799-90-2
• MDL Number: MFCD03701564
• PubChem SID: 24880317; 162245860
• PubChem CID: 3495745

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.755
• LogD (pH = 7.4): 4.755
• Log P: 4.755
• Molar Refractivity: 53.1126 cm^3
• Polarizability: 22.177284 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 100-105 °C(lit.)

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: 97%
• Linear Formula: (C6F5)2Zn

DETAILS

Sigma Aldrich - 566748

Packaging
1 g in glass bottle