bromo(6-chlorohexyl)zinc

• ChemBase ID: 148547
• Molecular Formular: C6H12BrClZn
• Molecular Mass: 264.89648
• Monoisotopic Mass: 261.91023206
• SMILES: C(CCC[Zn]Br)CCCl
• Canonical SMILES: ClCCCCCC[Zn]Br
• InChI: InChI=1S/C6H12Cl.BrH.Zn/c1-2-3-4-5-6-7;;/h1-6H2;1H;/q;;+1/p-1
• InChIKey: PAVFOQDYFGUYPY-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: bromo(6-chlorohexyl)zinc
• IUPAC Traditional name: bromo(6-chlorohexyl)zinc
• Synonyms: 6-Chlorohexylzinc bromide solution; 6-氯己基溴化锌 溶液

Database IDs

• CAS Number: 135579-83-8
• MDL Number: MFCD00671973
• PubChem SID: 24873145; 162242722
• PubChem CID: 3579918

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.5806
• LogD (pH = 7.4): 2.5806
• Log P: 2.5806
• Molar Refractivity: 42.5428 cm^3
• Polarizability: 19.862688 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Density: 0.974 g/mL at 25 °C

Safety Information

• European Hazard Symbols: Flammable (F); Harmful (Xn)
• UN Number: 2056
• German water hazard class: 1
• Hazard Class: 3
• Packing Group: 2
• Risk Statements: 14-19-22-36/38
• Safety Statements: 16-26-33-36
• RID/ADR: UN 2056 3/PG 2
• Storage Temperature: 2-8°C

Product Information

• Concentration: 0.5 M in THF
• Linear Formula: Cl(CH2)6ZnBr

DETAILS

Sigma Aldrich - 497797

Packaging
50 mL in Sure/Seal™
Legal Information
Product of Rieke® Metals, Inc.
Rieke is a registered trademark of Rieke Metals, Inc.