(3-cyanophenyl)(iodo)zinc

• ChemBase ID: 148427
• Molecular Formular: C7H4INZn
• Molecular Mass: 294.39783
• Monoisotopic Mass: 292.86798913
• SMILES: c1cc(cc(c1)[Zn]I)C#N
• Canonical SMILES: I[Zn]c1cccc(c1)C#N
• InChI: InChI=1S/C7H4N.HI.Zn/c8-6-7-4-2-1-3-5-7;;/h1-2,4-5H;1H;/q;;+1/p-1
• InChIKey: MWVOJRQBIBGPBW-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: (3-cyanophenyl)(iodo)zinc
• IUPAC Traditional name: (3-cyanophenyl)(iodo)zinc
• Synonyms: 3-Cyanophenylzinc iodide solution; 3-氰苯基碘化锌 溶液

Database IDs

• CAS Number: 288309-53-5
• MDL Number: MFCD01316998
• PubChem SID: 24873157; 162242603
• PubChem CID: 3294376

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.0058
• LogD (pH = 7.4): 2.0058
• Log P: 2.0058
• Molar Refractivity: 44.5367 cm^3
• Polarizability: 20.630207 Å^3
• Polar Surface Area: 23.79 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Flash Point: 1 °F; -17 °C
• Density: 0.998 g/mL at 25 °C

Safety Information

• European Hazard Symbols: Flammable (F); Harmful (Xn)
• UN Number: 3399
• German water hazard class: 1
• Hazard Class: 4.3
• Packing Group: 2
• Risk Statements: 11-14-19-22-36/37/38-40
• Safety Statements: 16-26-33-36
• RID/ADR: UN 3399 4.3/PG 2
• Storage Temperature: 2-8°C

Product Information

• Concentration: 0.5 M in THF
• Linear Formula: NCC6H4ZnI

DETAILS

Sigma Aldrich - 497940

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