bromo(2-cyclohexylethyl)zinc

• ChemBase ID: 299981
• Molecular Formular: C8H15BrZn
• Molecular Mass: 256.4887
• Monoisotopic Mass: 253.96485448
• SMILES: C1CCC(CC1)CC[Zn]Br
• Canonical SMILES: Br[Zn]CCC1CCCCC1
• InChI: InChI=1S/C8H15.BrH.Zn/c1-2-8-6-4-3-5-7-8;;/h8H,1-7H2;1H;/q;;+1/p-1
• InChIKey: VOBPKIPKOMHWGF-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: bromo(2-cyclohexylethyl)zinc
• IUPAC Traditional name: bromo(2-cyclohexylethyl)zinc
• Synonyms: 2-(Cyclohexyl)ethylzinc bromide, 0.5M in THF

Database IDs

• MDL Number: MFCD08064073
• PubChem SID: 180685512
• PubChem CID: 24722667

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.8038
• LogD (pH = 7.4): 2.8038
• Log P: 2.8038
• Molar Refractivity: 44.9105 cm^3
• Polarizability: 20.812286 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 3
• 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