bromo[(pentafluorophenyl)methyl]zinc

• ChemBase ID: 95062
• Molecular Formular: C7H2BrF5Zn
• Molecular Mass: 326.366796
• Monoisotopic Mass: 323.85514516
• SMILES: [Zn](Cc1c(c(c(c(c1F)F)F)F)F)Br
• Canonical SMILES: Br[Zn]Cc1c(F)c(F)c(c(c1F)F)F
• InChI: InChI=1S/C7H2F5.BrH.Zn/c1-2-3(8)5(10)7(12)6(11)4(2)9;;/h1H2;1H;/q;;+1/p-1
• InChIKey: WAKJCJJTVRCONB-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: bromo[(pentafluorophenyl)methyl]zinc
• IUPAC Traditional name: bromo[(pentafluorophenyl)methyl]zinc
• Synonyms: Pentafluorobenzylzinc bromide; 2,3,4,5,6-Pentafluorobenzylzinc bromide solution; 2,3,4,5,6-五氟苄基溴化锌 溶液

Database IDs

• CAS Number: 352534-75-9
• MDL Number: MFCD01311425
• PubChem SID: 162081713; 24878529
• PubChem CID: 2778249

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.0551
• LogD (pH = 7.4): 3.0551
• Log P: 3.0551
• Molar Refractivity: 40.1821 cm^3
• Polarizability: 18.073954 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 65 °C
• Flash Point: 17 °C; 62.6 °F
• Density: 1.018 g/mL at 25 °C

Safety Information

• Storage Warning: Flammable
• European Hazard Symbols: Flammable (F); Irritant (Xi)
• UN Number: 2056
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 2
• Risk Statements: 11-19-36/37
• Safety Statements: 16-26
• GHS Pictograms: GHS02; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H225-H319-H335
• GHS Precautionary statements: P210-P261-P305 + P351 + P338
• RID/ADR: UN 2056 3/PG 2
• Supplemental Hazard Statements: May form explosive peroxides.
• Storage Temperature: 2-8°C

Product Information

• Concentration: 0.5 M in THF
• Linear Formula: C6F5CH2ZnBr

DETAILS

Sigma Aldrich - 541273

Packaging
50 mL in Sure/Seal™
Legal Information
Product of Rieke ® Metals, Inc. ®Registered trademark of Rieke Metals, Inc.