(2-ethylphenyl)(iodo)zinc

• ChemBase ID: 151330
• Molecular Formular: C8H9IZn
• Molecular Mass: 297.44153
• Monoisotopic Mass: 295.90404029
• SMILES: CCc1ccccc1[Zn]I
• Canonical SMILES: I[Zn]c1ccccc1CC
• InChI: InChI=1S/C8H9.HI.Zn/c1-2-8-6-4-3-5-7-8;;/h3-6H,2H2,1H3;1H;/q;;+1/p-1
• InChIKey: RDLZIUOCWMAAGW-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-ethylphenyl)(iodo)zinc
• IUPAC Traditional name: (2-ethylphenyl)(iodo)zinc
• Synonyms: 2-Ethylphenylzinc iodide solution; 2-乙基苯基碘化锌 溶液

Database IDs

• CAS Number: 282727-19-9
• MDL Number: MFCD01311456
• PubChem SID: 24873208; 162245485
• PubChem CID: 3414517

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.0543
• LogD (pH = 7.4): 3.0543
• Log P: 3.0543
• Molar Refractivity: 48.4573 cm^3
• Polarizability: 22.264875 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Flash Point: 1.4 °F; -17 °C
• Density: 0.978 g/mL at 25 °C

Safety Information

• 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.

Product Information

• Concentration: 0.5 M in THF
• Linear Formula: C2H5C6H4ZnI

DETAILS

Sigma Aldrich - 498564

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