(2,6-dimethylphenyl)(iodo)zinc

• ChemBase ID: 141810
• Molecular Formular: C8H9IZn
• Molecular Mass: 297.44153
• Monoisotopic Mass: 295.90404029
• SMILES: Cc1cccc(c1[Zn]I)C
• Canonical SMILES: I[Zn]c1c(C)cccc1C
• InChI: InChI=1S/C8H9.HI.Zn/c1-7-4-3-5-8(2)6-7;;/h3-5H,1-2H3;1H;/q;;+1/p-1
• InChIKey: GTMHBPQJIFBGRR-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: (2,6-dimethylphenyl)(iodo)zinc
• IUPAC Traditional name: (2,6-dimethylphenyl)(iodo)zinc
• Synonyms: 2,6-Dimethylphenylzinc iodide solution; 2,6-二甲基苯基碘化锌 溶液

Database IDs

• CAS Number: 282727-21-3
• MDL Number: MFCD01311450
• PubChem SID: 162236044; 24873194
• PubChem CID: 16213685

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.1252
• LogD (pH = 7.4): 3.1252
• Log P: 3.1252
• Molar Refractivity: 48.8975 cm^3
• Polarizability: 22.197636 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Flash Point: 1.4 °F; -17 °C
• Density: 1.007 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.
• Storage Temperature: 2-8°C

Product Information

• Concentration: 0.5 M in THF
• Linear Formula: (CH3)2C6H3ZnI

DETAILS

Sigma Aldrich - 498408

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