chloro[(2,5-dimethoxyphenyl)methyl]zinc

• ChemBase ID: 149808
• Molecular Formular: C9H11ClO2Zn
• Molecular Mass: 252.01544
• Monoisotopic Mass: 249.97389927
• SMILES: COc1ccc(c(c1)C[Zn]Cl)OC
• Canonical SMILES: Cl[Zn]Cc1cc(OC)ccc1OC
• InChI: InChI=1S/C9H11O2.ClH.Zn/c1-7-6-8(10-2)4-5-9(7)11-3;;/h4-6H,1H2,2-3H3;1H;/q;;+1/p-1
• InChIKey: PLRZEOFVXVXHFS-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: chloro[(2,5-dimethoxyphenyl)methyl]zinc
• IUPAC Traditional name: chloro[(2,5-dimethoxyphenyl)methyl]zinc
• Synonyms: 2,5-Dimethoxybenzylzinc chloride solution; 2,5-二甲氧苄基氯化锌 溶液

Database IDs

• CAS Number: 352530-32-6
• MDL Number: MFCD02260143
• PubChem SID: 24877953; 162243970
• PubChem CID: 11334226

CALCULATED PROPERTIES

• Polar Surface Area: 18.46 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.5516
• LogD (pH = 7.4): 1.5516
• Log P: 1.5516
• Molar Refractivity: 49.4276 cm^3
• Polarizability: 22.409533 Å^3

PROPERTIES

Physical Property

• Boiling Point: 65 °C
• Flash Point: 1.4 °F; -17 °C
• Density: 0.998 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: 11-14-19-36/37
• Safety Statements: 16-26
• GHS Pictograms: GHS02; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H225-H315-H319-H335
• GHS Precautionary statements: P210-P261-P305 + P351 + P338
• RID/ADR: UN 2056 3/PG 2
• Supplemental Hazard Statements: May form explosive peroxides., Reacts violently with water.
• Storage Temperature: 2-8°C

Product Information

• Concentration: 0.5 M in THF
• Linear Formula: (CH3O)2C6H3CH2ZnCl

DETAILS

Sigma Aldrich - 533319

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