(4-chloro-3-fluorophenyl)(iodo)zinc

• ChemBase ID: 137110
• Molecular Formular: C6H3ClFIZn
• Molecular Mass: 321.8238932
• Monoisotopic Mass: 319.824346
• SMILES: c1cc(c(cc1[Zn]I)F)Cl
• Canonical SMILES: I[Zn]c1ccc(c(c1)F)Cl
• InChI: InChI=1S/C6H3ClF.HI.Zn/c7-5-3-1-2-4-6(5)8;;/h1,3-4H;1H;/q;;+1/p-1
• InChIKey: PNEBEOHSZPQLJH-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: (4-chloro-3-fluorophenyl)(iodo)zinc
• IUPAC Traditional name: (4-chloro-3-fluorophenyl)(iodo)zinc
• Synonyms: 4-Chloro-3-fluorophenylzinc iodide solution; 4-氯-3-氟苯基碘化锌 溶液

Database IDs

• CAS Number: 312693-42-8
• MDL Number: MFCD01319863
• PubChem SID: 162231375; 24874417
• PubChem CID: 24722600

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.8483
• LogD (pH = 7.4): 2.8483
• Log P: 2.8483
• Molar Refractivity: 43.8363 cm^3
• Polarizability: 20.722021 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 65 °C
• Flash Point: 1 °F; -17 °C
• Density: 1.024 g/mL at 25 °C

Safety Information

• European Hazard Symbols: Flammable (F); Harmful (Xn)
• UN Number: 2056
• German water hazard class: 1
• Hazard Class: 3
• Packing Group: 2
• Risk Statements: 14-19-22-36/37/38
• Safety Statements: 16-26-33-36
• RID/ADR: UN 2056 3/PG 2

Product Information

• Concentration: 0.5 M in THF
• Linear Formula: ClC6H3(F)Znl

DETAILS

Sigma Aldrich - 524506

Legal Information
Product of Rieke® Metals, Inc.
Rieke is a registered trademark of Rieke Metals, Inc.