chloro[(2-ethoxyphenyl)methyl]zinc

• ChemBase ID: 145975
• Molecular Formular: C9H11ClOZn
• Molecular Mass: 236.01604
• Monoisotopic Mass: 233.97898465
• SMILES: CCOc1ccccc1C[Zn]Cl
• Canonical SMILES: Cl[Zn]Cc1ccccc1OCC
• InChI: InChI=1S/C9H11O.ClH.Zn/c1-3-10-9-7-5-4-6-8(9)2;;/h4-7H,2-3H2,1H3;1H;/q;;+1/p-1
• InChIKey: KWZRZUYQNBGSAR-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: chloro[(2-ethoxyphenyl)methyl]zinc
• IUPAC Traditional name: chloro[(2-ethoxyphenyl)methyl]zinc
• Synonyms: 2-Ethoxybenzylzinc chloride solution; 邻乙氧基苄基氯化锌 溶液

Database IDs

• CAS Number: 308796-28-3
• MDL Number: MFCD01863642
• PubChem SID: 162240175; 24873281
• PubChem CID: 3720054

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.1468
• LogD (pH = 7.4): 2.1468
• Log P: 2.1468
• Molar Refractivity: 47.713 cm^3
• Polarizability: 21.67224 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Density: 0.955 g/mL at 25 °C

Safety Information

• UN Number: 2924
• Hazard Class: 3
• Packing Group: 2
• RID/ADR: UN 2924 3/PG 2
• Storage Temperature: 2-8°C

Product Information

• Concentration: 0.5 M in THF
• Linear Formula: C2H5OC6H4CH2ZnCl

DETAILS

Sigma Aldrich - 499447

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