(3,4-dimethylphenyl)(iodo)zinc

• ChemBase ID: 145343
• Molecular Formular: C8H9IZn
• Molecular Mass: 297.44153
• Monoisotopic Mass: 295.90404029
• SMILES: Cc1ccc(cc1C)[Zn]I
• Canonical SMILES: I[Zn]c1ccc(c(c1)C)C
• InChI: InChI=1S/C8H9.HI.Zn/c1-7-5-3-4-6-8(7)2;;/h3,5-6H,1-2H3;1H;/q;;+1/p-1
• InChIKey: XWAXMHZTAPXNAV-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: (3,4-dimethylphenyl)(iodo)zinc
• IUPAC Traditional name: (3,4-dimethylphenyl)(iodo)zinc
• Synonyms: 3,4-Dimethylphenylzinc iodide solution; 3,4-二甲基苯基碘化锌 溶液

Database IDs

• CAS Number: 312692-97-0
• EC Number: 203-726-8
• MDL Number: MFCD01311451
• PubChem SID: 162239549; 24873195
• PubChem CID: 4161947

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.1252
• LogD (pH = 7.4): 3.1252
• Log P: 3.1252
• Molar Refractivity: 48.8975 cm^3
• Polarizability: 22.197596 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 65 °C
• Flash Point: 1.4 °F; -17 °C
• Density: 1.015 g/mL at 25 °C

Safety Information

• European Hazard Symbols: Flammable (F); Irritant (Xi)
• UN Number: 3399
• German water hazard class: 3
• Hazard Class: 4.3
• 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 3399 4.3/PG 2
• Supplemental Hazard Statements: May form explosive peroxides.

Product Information

• Concentration: 0.5 M in THF
• Linear Formula: (CH3)2C6H3Znl

DETAILS

Sigma Aldrich - 498416

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