adamantan-2-yl(bromo)zinc

• ChemBase ID: 300158
• Molecular Formular: C10H15BrZn
• Molecular Mass: 280.5101
• Monoisotopic Mass: 277.96485448
• SMILES: C1C2CC3CC1CC(C2)C3[Zn]Br
• Canonical SMILES: Br[Zn]C1C2CC3CC1CC(C2)C3
• InChI: InChI=1S/C10H15.BrH.Zn/c1-7-2-9-4-8(1)5-10(3-7)6-9;;/h1,7-10H,2-6H2;1H;/q;;+1/p-1
• InChIKey: HHXSMOCPPVCAHH-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: adamantan-2-yl(bromo)zinc
• IUPAC Traditional name: adamantan-2-yl(bromo)zinc
• Synonyms: 2-Adamantylzinc bromide, 0.5M in THF

Database IDs

• CAS Number: 171860-65-4
• MDL Number: MFCD01311401

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.5895
• LogD (pH = 7.4): 2.5895
• Log P: 2.5895
• Molar Refractivity: 49.9099 cm^3
• Polarizability: 23.036346 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Density: 1.018

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