bromo(2,5-difluoro-4-methoxyphenyl)zinc

• ChemBase ID: 300263
• Molecular Formular: C7H5BrF2OZn
• Molecular Mass: 288.3948064
• Monoisotopic Mass: 285.87832522
• SMILES: Fc1c(cc(c(c1)OC)F)[Zn]Br
• Canonical SMILES: COc1cc(F)c(cc1F)[Zn]Br
• InChI: InChI=1S/C7H5F2O.BrH.Zn/c1-10-7-4-5(8)2-3-6(7)9;;/h3-4H,1H3;1H;/q;;+1/p-1
• InChIKey: WEUAQJYCDOJDPB-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: bromo(2,5-difluoro-4-methoxyphenyl)zinc
• IUPAC Traditional name: bromo(2,5-difluoro-4-methoxyphenyl)zinc
• Synonyms: 2,5-Difluoro-4-methoxyphenylzinc bromide, 0.5M in THF

Database IDs

• MDL Number: MFCD13152552

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.2186
• LogD (pH = 7.4): 2.2186
• Log P: 2.2186
• Molar Refractivity: 41.1055 cm^3
• Polarizability: 18.878668 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 2
• 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