iodo(2-phenylphenyl)zinc

• ChemBase ID: 139590
• Molecular Formular: C12H9IZn
• Molecular Mass: 345.48433
• Monoisotopic Mass: 343.90404029
• SMILES: c1ccc(cc1)c1ccccc1[Zn]I
• Canonical SMILES: I[Zn]c1ccccc1c1ccccc1
• InChI: InChI=1S/C12H9.HI.Zn/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;;/h1-9H;1H;/q;;+1/p-1
• InChIKey: NZDOSHJYDSGZHH-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: iodo(2-phenylphenyl)zinc
• IUPAC Traditional name: iodo(2-phenylphenyl)zinc
• Synonyms: 2-Biphenylzinc iodide solution; 2-联苯碘化锌 溶液

Database IDs

• MDL Number: MFCD07698713
• PubChem SID: 24882292; 162233838
• PubChem CID: 16217640

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.8752
• LogD (pH = 7.4): 3.8752
• Log P: 3.8752
• Molar Refractivity: 63.9513 cm^3
• Polarizability: 29.329828 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: 1.018 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
• Impurities: 1-3% inorganic chloride
• Empirical Formula (Hill Notation): C12H9IZn

DETAILS

Sigma Aldrich - 630411

Packaging
50 mL in Sure/Seal™