(4-bromo-3-fluorophenyl)(iodo)zinc

• ChemBase ID: 96809
• Molecular Formular: C6H3BrFIZn
• Molecular Mass: 366.2748932
• Monoisotopic Mass: 363.77383032
• SMILES: [Zn](c1cc(c(cc1)Br)F)I
• Canonical SMILES: I[Zn]c1ccc(c(c1)F)Br
• InChI: InChI=1S/C6H3BrF.HI.Zn/c7-5-3-1-2-4-6(5)8;;/h1,3-4H;1H;/q;;+1/p-1
• InChIKey: QRURAODMCAUCHJ-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: (4-bromo-3-fluorophenyl)(iodo)zinc
• IUPAC Traditional name: (4-bromo-3-fluorophenyl)(iodo)zinc
• Synonyms: 4-Bromo-3-fluorophenylzinc iodide solution; 4-Bromo-3-fluorophenylzinc iodide; 4-溴-3-氟苯基碘化锌 溶液

Database IDs

• CAS Number: 352525-65-6
• MDL Number: MFCD01311460
• PubChem SID: 162083455; 24873132
• PubChem CID: 2778275

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.1221
• LogD (pH = 7.4): 3.1221
• Log P: 3.1221
• Molar Refractivity: 46.6543 cm^3
• Polarizability: 21.90966 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: 1.035 g/mL at 25 °C

Safety Information

• Storage Warning: Flammable
• 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: BrC6H3(F)ZnI

DETAILS

Sigma Aldrich - 497630

Packaging
100 mL in Sure/Seal™