bromo(2-phenylethyl)zinc

• ChemBase ID: 147473
• Molecular Formular: C8H9BrZn
• Molecular Mass: 250.44106
• Monoisotopic Mass: 247.91790429
• SMILES: c1ccc(cc1)CC[Zn]Br
• Canonical SMILES: Br[Zn]CCc1ccccc1
• InChI: InChI=1S/C8H9.BrH.Zn/c1-2-8-6-4-3-5-7-8;;/h3-7H,1-2H2;1H;/q;;+1/p-1
• InChIKey: SEXSOTWHLBYVNF-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: bromo(2-phenylethyl)zinc
• IUPAC Traditional name: bromo(2-phenylethyl)zinc
• Synonyms: Phenethylzinc bromide solution; 苯乙基溴化锌 溶液

Database IDs

• CAS Number: 308796-14-7
• EC Number: 203-726-8
• MDL Number: MFCD01311437
• PubChem SID: 162241661; 24873270
• PubChem CID: 5214896

CALCULATED PROPERTIES

• Molar Refractivity: 43.8551 cm^3
• Polarizability: 19.976954 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true
• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.6093
• LogD (pH = 7.4): 2.6093
• Log P: 2.6093

PROPERTIES

Physical Property

• Boiling Point: 65 °C
• Flash Point: 1.4 °F; -17 °C
• Density: 0.965 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: 16-29-33
• 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: C6H5CH2CH2ZnBr

DETAILS

Sigma Aldrich - 499307

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