ethyl 6-(bromozincio)hexanoate

• ChemBase ID: 151582
• Molecular Formular: C8H15BrO2Zn
• Molecular Mass: 288.4875
• Monoisotopic Mass: 285.95468372
• SMILES: CCOC(=O)CCCCC[Zn]Br
• Canonical SMILES: Br[Zn]CCCCCC(=O)OCC
• InChI: InChI=1S/C8H15O2.BrH.Zn/c1-3-5-6-7-8(9)10-4-2;;/h1,3-7H2,2H3;1H;/q;;+1/p-1
• InChIKey: IZONVKQHIRKQIV-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 6-(bromozincio)hexanoate
• IUPAC Traditional name: ethyl 6-(bromozincio)hexanoate
• Synonyms: 6-Ethoxy-6-oxohexylzinc bromide solution; 6-乙氧基-6-氧己基溴化锌 溶液

Database IDs

• CAS Number: 312693-01-9
• MDL Number: MFCD00671979
• PubChem SID: 162245735; 24873203
• PubChem CID: 5230082

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.7226
• LogD (pH = 7.4): 1.7226
• Log P: 1.7226
• Molar Refractivity: 48.7462 cm^3
• Polarizability: 22.478415 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Flash Point: 1.4 °F; -17 °C
• Density: 0.98 g/mL at 25 °C

Safety Information

• European Hazard Symbols: Flammable (F); Irritant (Xi)
• UN Number: 2056
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 2
• Risk Statements: 11-19-36/37
• Safety Statements: 16-26
• GHS Pictograms: GHS02; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H225-H319-H335
• GHS Precautionary statements: P210-P261-P305 + P351 + P338
• RID/ADR: UN 2056 3/PG 2
• Supplemental Hazard Statements: May form explosive peroxides.
• Storage Temperature: 2-8°C

Product Information

• Concentration: 0.5 M in THF
• Linear Formula: C2H5O2C(CH2)5ZnBr

DETAILS

Sigma Aldrich - 498505

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