bromo(pentan-2-yl)zinc

• ChemBase ID: 147311
• Molecular Formular: C5H11BrZn
• Molecular Mass: 216.42484
• Monoisotopic Mass: 213.93355435
• SMILES: CCCC(C)[Zn]Br
• Canonical SMILES: CC([Zn]Br)CCC
• InChI: InChI=1S/C5H11.BrH.Zn/c1-3-5-4-2;;/h3H,4-5H2,1-2H3;1H;/q;;+1/p-1
• InChIKey: CIYMRBSCGOXOEW-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: bromo(pentan-2-yl)zinc
• IUPAC Traditional name: bromo(pentan-2-yl)zinc
• Synonyms: 1-Methylbutylzinc bromide solution; 1-甲基丁基溴化锌 溶液

Database IDs

• CAS Number: 308796-07-8
• MDL Number: MFCD01311408
• PubChem SID: 162241501; 24873266
• PubChem CID: 3602244

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.1663
• LogD (pH = 7.4): 2.1663
• Log P: 2.1663
• Molar Refractivity: 32.7521 cm^3
• Polarizability: 16.12092 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Flash Point: 1 °F; -17 °C
• Density: 0.961 g/mL at 25 °C

Safety Information

• European Hazard Symbols: Flammable (F); Harmful (Xn)
• UN Number: 3399
• German water hazard class: 1
• Hazard Class: 4.3
• Packing Group: 2
• Risk Statements: 14-19-22-36/38
• Safety Statements: 16-26-33-36
• RID/ADR: UN 3399 4.3/PG 2
• Storage Temperature: 2-8°C

Product Information

• Concentration: 0.5 M in THF
• Linear Formula: CH3CH2CH2CH(CH3)ZnBr

DETAILS

Sigma Aldrich - 499269

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