bromo(3,4-difluorophenyl)zinc

• ChemBase ID: 100236
• Molecular Formular: C6H3BrF2Zn
• Molecular Mass: 258.3688264
• Monoisotopic Mass: 255.86776054
• SMILES: Fc1c(ccc(c1)[Zn]Br)F
• Canonical SMILES: Br[Zn]c1ccc(c(c1)F)F
• InChI: InChI=1S/C6H3F2.BrH.Zn/c7-5-3-1-2-4-6(5)8;;/h1,3-4H;1H;/q;;+1/p-1
• InChIKey: UJHOWEXFFHXINR-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: bromo(3,4-difluorophenyl)zinc
• IUPAC Traditional name: bromo(3,4-difluorophenyl)zinc
• Synonyms: 3,4-Difluorophenylzinc bromide 0.5M solution in THF; 3,4-Difluorophenylzinc bromide, 0.5M in THF

Database IDs

• CAS Number: 737797-28-3
• MDL Number: MFCD02260154
• PubChem SID: 162086908
• PubChem CID: 24722621

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.4713
• LogD (pH = 7.4): 2.4713
• Log P: 2.4713
• Molar Refractivity: 34.6423 cm^3
• Polarizability: 16.326202 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; Flammable
• 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