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

• ChemBase ID: 300143
• Molecular Formular: C7H6BrIZn
• Molecular Mass: 362.31101
• Monoisotopic Mass: 359.79890219
• SMILES: Cc1cc(ccc1[Zn]I)Br
• Canonical SMILES: I[Zn]c1ccc(cc1C)Br
• InChI: InChI=1S/C7H6Br.HI.Zn/c1-6-3-2-4-7(8)5-6;;/h2,4-5H,1H3;1H;/q;;+1/p-1
• InChIKey: VKJPAEXCJKFXRD-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: (4-bromo-2-methylphenyl)(iodo)zinc
• IUPAC Traditional name: (4-bromo-2-methylphenyl)(iodo)zinc
• Synonyms: 4-Bromo-2-methylphenylzinc iodide, 0.5M in THF

Database IDs

• MDL Number: MFCD08064070

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.4498
• LogD (pH = 7.4): 3.4498
• Log P: 3.4498
• Molar Refractivity: 51.4791 cm^3
• Polarizability: 23.626127 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Air Sensitive
• European Hazard Symbols: Corrosive (C); Flammable (F)
• UN Number: UN3399
• Hazard Class: 4.3
• Packing Group: II
• Risk Statements: 11-15-19-34-37
• Safety Statements: 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

Product Information

• Concentration: 0.5M in THF
• Packaging: packaged under Argon in resealable ChemSeal? bottles