(4-bromo-2-fluorophenyl)(iodo)zinc

• ChemBase ID: 100279
• Molecular Formular: C6H3BrFIZn
• Molecular Mass: 366.2748932
• Monoisotopic Mass: 363.77383032
• SMILES: Brc1cc(c(cc1)[Zn]I)F
• Canonical SMILES: I[Zn]c1ccc(cc1F)Br
• InChI: InChI=1S/C6H3BrF.HI.Zn/c7-5-2-1-3-6(8)4-5;;/h1-2,4H;1H;/q;;+1/p-1
• InChIKey: BBHLLNIOJPJRDR-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: (4-bromo-2-fluorophenyl)(iodo)zinc
• IUPAC Traditional name: (4-bromo-2-fluorophenyl)(iodo)zinc
• Synonyms: 4-Bromo-2-fluorophenylzinc iodide; 4-Bromo-2-fluorophenylzinc iodide solution; 4-Bromo-2-fluorophenylzinc iodide, 0.5M in THF; 4-溴-2-氟苯基碘化锌 溶液

Database IDs

• CAS Number: 352530-44-0
• MDL Number: MFCD02260131
• PubChem SID: 162086368; 24878084
• PubChem CID: 2778807

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: 21.90585 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 65 °C; 65°C
• Flash Point: 1 °F; -17 °C; 17.2°C
• Density: 1.016; 1.016 g/mL at 25 °C

Safety Information

• Storage Warning: Air Sensitive; Highly Flammable/Toxic/Keep Cold/Store under Argon
• European Hazard Symbols: Corrosive (C); Flammable (F); Toxic (T)
• UN Number: 2056; UN3399
• German water hazard class: 1
• Hazard Class: 3; 4.3
• Packing Group: 2; II
• Risk Statements: 11-15-19-34-37; 11-19-23/24/25-36/37/38
• Safety Statements: 16-26-28-33-36/37-45; 7/8-9-16-20-23-26-33-36/37/39-43-45-60
• TSCA Listed: 否
• GHS Pictograms: GHS02; GHS05; GHS07
• GHS Hazard statements: H224-H260-H314-H318-H335
• GHS Precautionary statements: P210-P231+P232-P303+P361+P353-P305+P351+P338-P405-P501
• RID/ADR: UN 2056 3/PG 2
• Storage Temperature: 2-8°C

Product Information

• Concentration: 0.5 M in THF; 0.5M in THF
• Packaging: packaged under Argon in resealable ChemSeal? bottles
• Linear Formula: BrC6H3(F)ZnI

DETAILS

Sigma Aldrich - 535249

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