[3-(ethoxycarbonyl)phenyl](iodo)zinc

• ChemBase ID: 145156
• Molecular Formular: C9H9IO2Zn
• Molecular Mass: 341.45103
• Monoisotopic Mass: 339.89386953
• SMILES: CCOC(=O)c1cccc(c1)[Zn]I
• Canonical SMILES: CCOC(=O)c1cccc(c1)[Zn]I
• InChI: InChI=1S/C9H9O2.HI.Zn/c1-2-11-9(10)8-6-4-3-5-7-8;;/h3-4,6-7H,2H2,1H3;1H;/q;;+1/p-1
• InChIKey: DRTMDOYOSDJUCW-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: [3-(ethoxycarbonyl)phenyl](iodo)zinc
• IUPAC Traditional name: [3-(ethoxycarbonyl)phenyl](iodo)zinc
• Synonyms: 3-(Ethoxycarbonyl)phenylzinc iodide solution; 3-(Ethoxycarbonyl)phenylzinc iodide, 0.5M in THF; 3-(乙氧羰基)苯基碘化锌 溶液

Database IDs

• CAS Number: 282727-18-8
• MDL Number: MFCD00671981
• PubChem SID: 162239366; 24873199
• PubChem CID: 4063825

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.6809
• LogD (pH = 7.4): 2.6809
• Log P: 2.6809
• Molar Refractivity: 55.589 cm^3
• Polarizability: 25.087954 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Flash Point: 1 °F; -17 °C
• Density: 0.991; 0.991 g/mL at 25 °C

Safety Information

• Storage Warning: Air Sensitive
• European Hazard Symbols: Corrosive (C); Flammable (F)
• UN Number: 2056; UN3399
• German water hazard class: 1
• Hazard Class: 3; 4.3
• Packing Group: 2; II
• Risk Statements: 11-14-19-34; 11-15-19-34-37
• Safety Statements: 16-26-36/37/39-45; 7/8-9-16-20-23-26-33-36/37/39-43-45-60
• TSCA Listed: 否
• GHS Pictograms: GHS02; GHS05; GHS07
• GHS Hazard statements: H224-H260-H314-H318-H335
• GHS Precautionary statements: P210-P231+P232-P303+P361+P353-P305+P351+P338-P405-P501
• RID/ADR: UN 2056 3/PG 2
• Storage Temperature: 2-8°C

Product Information

• Concentration: 0.5 M in THF; 0.5M in THF
• Packaging: packaged under Argon in resealable ChemSeal? bottles
• Linear Formula: C2H5O2CC6H4ZnI

DETAILS

Sigma Aldrich - 498467

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