chloro[(pentafluorophenyl)methyl]zinc

• ChemBase ID: 148223
• Molecular Formular: C7H2ClF5Zn
• Molecular Mass: 281.915796
• Monoisotopic Mass: 279.90566084
• SMILES: C(c1c(c(c(c(c1F)F)F)F)F)[Zn]Cl
• Canonical SMILES: Cl[Zn]Cc1c(F)c(F)c(c(c1F)F)F
• InChI: InChI=1S/C7H2F5.ClH.Zn/c1-2-3(8)5(10)7(12)6(11)4(2)9;;/h1H2;1H;/q;;+1/p-1
• InChIKey: GGNRNMYEDWCPQV-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: chloro[(pentafluorophenyl)methyl]zinc
• IUPAC Traditional name: chloro[(pentafluorophenyl)methyl]zinc
• Synonyms: 2,3,4,5,6-Pentafluorobenzylzinc chloride solution; 2,3,4,5,6-五氟苄基氯化锌 溶液

Database IDs

• CAS Number: 308796-02-3
• MDL Number: MFCD02093643
• PubChem SID: 162242399; 24873251
• PubChem CID: 4156823

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.7545
• LogD (pH = 7.4): 2.7545
• Log P: 2.7545
• Molar Refractivity: 37.5832 cm^3
• Polarizability: 16.868736 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: 1 °F; -17 °C
• Density: 0.99 g/mL at 25 °C

Safety Information

• European Hazard Symbols: Flammable (F); Irritant (Xi)
• UN Number: 2056
• German water hazard class: -
• Hazard Class: 3
• Packing Group: 2
• Risk Statements: 11-19-36/37
• Safety Statements: 16-29-33
• RID/ADR: UN 2056 3/PG 2
• Storage Temperature: 2-8°C

Product Information

• Concentration: 0.5 M in THF
• Linear Formula: C6F5CH2ZnCl

DETAILS

Sigma Aldrich - 499064

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