bromo[(2-iodophenyl)methyl]zinc

• ChemBase ID: 142189
• Molecular Formular: C7H6BrIZn
• Molecular Mass: 362.31101
• Monoisotopic Mass: 359.79890219
• SMILES: c1ccc(c(c1)C[Zn]Br)I
• Canonical SMILES: Br[Zn]Cc1ccccc1I
• InChI: InChI=1S/C7H6I.BrH.Zn/c1-6-4-2-3-5-7(6)8;;/h2-5H,1H2;1H;/q;;+1/p-1
• InChIKey: CYLNVPVVESOXDT-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: bromo[(2-iodophenyl)methyl]zinc
• IUPAC Traditional name: bromo[(2-iodophenyl)methyl]zinc
• Synonyms: 2-Iodobenzylzinc bromide solution; 2-碘苄基溴化锌 溶液

Database IDs

• CAS Number: 117269-71-3
• MDL Number: MFCD02260159
• PubChem SID: 24882730; 162236419
• PubChem CID: 14224094

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.3482
• LogD (pH = 7.4): 3.3482
• Log P: 3.3482
• Molar Refractivity: 52.4626 cm^3
• Polarizability: 23.764252 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: 1.025 g/mL at 25 °C

Safety Information

• European Hazard Symbols: Flammable (F); Irritant (Xi)
• UN Number: 2924
• 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 2924 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 and iodide
• Linear Formula: C6H4ICH2ZnBr

DETAILS

Sigma Aldrich - 635650

Packaging
50 mL in Sure/Seal™