bromo(4-chlorobutyl)zinc

• ChemBase ID: 149131
• Molecular Formular: C4H8BrClZn
• Molecular Mass: 236.84332
• Monoisotopic Mass: 233.87893194
• SMILES: C(CC[Zn]Br)CCl
• Canonical SMILES: ClCCCC[Zn]Br
• InChI: InChI=1S/C4H8Cl.BrH.Zn/c1-2-3-4-5;;/h1-4H2;1H;/q;;+1/p-1
• InChIKey: YDPVAYXEHNRIKW-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: bromo(4-chlorobutyl)zinc
• IUPAC Traditional name: bromo(4-chlorobutyl)zinc
• Synonyms: 4-Chlorobutylzinc bromide solution; 4-氯丁基溴化锌 溶液

Database IDs

• CAS Number: 155589-48-3
• MDL Number: MFCD01316995
• PubChem SID: 24873143; 162243299
• PubChem CID: 4176273

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.788
• LogD (pH = 7.4): 1.788
• Log P: 1.788
• Molar Refractivity: 33.3408 cm^3
• Polarizability: 16.315136 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Density: 0.98 g/mL at 25 °C

Safety Information

• European Hazard Symbols: Irritant (Xi)
• UN Number: 3399
• German water hazard class: 3
• Hazard Class: 4.3
• 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 3399 4.3/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)4ZnBr

DETAILS

Sigma Aldrich - 497770

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