bromo(5-chloropentyl)zinc

• ChemBase ID: 148835
• Molecular Formular: C5H10BrClZn
• Molecular Mass: 250.8699
• Monoisotopic Mass: 247.894582
• SMILES: C(CCCl)CC[Zn]Br
• Canonical SMILES: ClCCCCC[Zn]Br
• InChI: InChI=1S/C5H10Cl.BrH.Zn/c1-2-3-4-5-6;;/h1-5H2;1H;/q;;+1/p-1
• InChIKey: SOVQGFDZTBAGEL-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: bromo(5-chloropentyl)zinc
• IUPAC Traditional name: bromo(5-chloropentyl)zinc
• Synonyms: 5-Chloropentylzinc bromide solution; 5-氯戊基溴化锌 溶液

Database IDs

• CAS Number: 312624-21-8
• MDL Number: MFCD01316994
• PubChem SID: 24873148; 162243008
• PubChem CID: 4381932

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.1843
• LogD (pH = 7.4): 2.1843
• Log P: 2.1843
• Molar Refractivity: 37.9418 cm^3
• Polarizability: 18.084106 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Density: 0.956 g/mL at 25 °C

Safety Information

• European Hazard Symbols: Irritant (Xi)
• UN Number: 2056
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 2
• Risk Statements: 19-36/37
• Safety Statements: 26
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H319-H335
• GHS Precautionary statements: 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: Cl(CH2)5ZnBr

DETAILS

Sigma Aldrich - 497819

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