bromo(hexan-2-yl)zinc

• ChemBase ID: 138679
• Molecular Formular: C6H13BrZn
• Molecular Mass: 230.45142
• Monoisotopic Mass: 227.94920442
• SMILES: CCCCC(C)[Zn]Br
• Canonical SMILES: CC([Zn]Br)CCCC
• InChI: InChI=1S/C6H13.BrH.Zn/c1-3-5-6-4-2;;/h3H,4-6H2,1-2H3;1H;/q;;+1/p-1
• InChIKey: KUWDPIFLFLVKPB-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: bromo(hexan-2-yl)zinc
• IUPAC Traditional name: bromo(hexan-2-yl)zinc
• Synonyms: 1-Methylpentylzinc bromide solution; 1-甲基戊基溴化锌 溶液

Database IDs

• CAS Number: 312693-13-3
• MDL Number: MFCD01311409
• PubChem SID: 162232930; 24873221
• PubChem CID: 5196650

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.5626
• LogD (pH = 7.4): 2.5626
• Log P: 2.5626
• Molar Refractivity: 37.3531 cm^3
• Polarizability: 17.907011 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 65 °C
• Flash Point: 1 °F; -17 °C
• Density: 0.981 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

Product Information

• Concentration: 0.5 M in THF
• Linear Formula: CH3(CH2)3CH(CH3)ZnBr

DETAILS

Sigma Aldrich - 498742

Legal Information
Product of Rieke® Metals, Inc.
Rieke is a registered trademark of Rieke Metals, Inc.