chloro[(2-methoxyphenyl)methyl]zinc

• ChemBase ID: 150368
• Molecular Formular: C8H9ClOZn
• Molecular Mass: 221.98946
• Monoisotopic Mass: 219.96333459
• SMILES: COc1ccccc1C[Zn]Cl
• Canonical SMILES: Cl[Zn]Cc1ccccc1OC
• InChI: InChI=1S/C8H9O.ClH.Zn/c1-7-5-3-4-6-8(7)9-2;;/h3-6H,1H2,2H3;1H;/q;;+1/p-1
• InChIKey: NRJJPCZGLGLMEV-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: chloro[(2-methoxyphenyl)methyl]zinc
• IUPAC Traditional name: chloro[(2-methoxyphenyl)methyl]zinc
• Synonyms: 2-Methoxybenzylzinc chloride solution; 2-甲氧基苄基氯化锌 溶液

Database IDs

• CAS Number: 312693-15-5
• MDL Number: MFCD01319884
• PubChem SID: 162244529; 24873225
• PubChem CID: 3327921

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.8043
• LogD (pH = 7.4): 1.8043
• Log P: 1.8043
• Molar Refractivity: 42.9644 cm^3
• Polarizability: 19.851774 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Flash Point: 1.4 °F; -17 °C
• Density: 0.937 g/mL at 25 °C

Safety Information

• European Hazard Symbols: Corrosive (C); Flammable (F)
• UN Number: 2056
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 2
• Risk Statements: 11-14-19-34-37
• Safety Statements: 16-26-36/37/39-45
• GHS Pictograms: GHS02; GHS05; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H225-H314-H335
• GHS Precautionary statements: P210-P261-P280-P305 + P351 + P338-P310
• 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: CH3OC6H4CH2ZnCl

DETAILS

Sigma Aldrich - 498785

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