bromo(6-chloropyridin-3-yl)zinc

• ChemBase ID: 300131
• Molecular Formular: C5H3BrClNZn
• Molecular Mass: 257.82102
• Monoisotopic Mass: 254.84288078
• SMILES: c1cc(ncc1[Zn]Br)Cl
• Canonical SMILES: Br[Zn]c1ccc(nc1)Cl
• InChI: InChI=1S/C5H3ClN.BrH.Zn/c6-5-3-1-2-4-7-5;;/h1,3-4H;1H;/q;;+1/p-1
• InChIKey: LAUFNYRJMHJGAA-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: bromo(6-chloropyridin-3-yl)zinc
• IUPAC Traditional name: bromo(6-chloropyridin-3-yl)zinc
• Synonyms: 2-Chloro-5-pyridylzinc bromide, 0.5M in THF

Database IDs

• MDL Number: MFCD11915908

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.7690811
• LogD (pH = 7.4): 1.7690997
• Log P: 1.7691
• Molar Refractivity: 37.9187 cm^3
• Polarizability: 17.752201 Å^3
• Polar Surface Area: 12.89 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