(3,4-dichlorophenyl)(iodo)zinc

• ChemBase ID: 147352
• Molecular Formular: C6H3Cl2IZn
• Molecular Mass: 338.27849
• Monoisotopic Mass: 335.79479546
• SMILES: c1cc(c(cc1[Zn]I)Cl)Cl
• Canonical SMILES: I[Zn]c1ccc(c(c1)Cl)Cl
• InChI: InChI=1S/C6H3Cl2.HI.Zn/c7-5-3-1-2-4-6(5)8;;/h1,3-4H;1H;/q;;+1/p-1
• InChIKey: JQONIZUVNNKSEM-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: (3,4-dichlorophenyl)(iodo)zinc
• IUPAC Traditional name: (3,4-dichlorophenyl)(iodo)zinc
• Synonyms: 3,4-Dichlorophenylzinc iodide solution; 3,4-Dichlorophenylzinc iodide, 0.5M in THF; 3,4-二氯苯基碘化锌 溶液

Database IDs

• CAS Number: 312692-85-6
• MDL Number: MFCD01319864
• PubChem SID: 24873167; 162241541
• PubChem CID: 4571241

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.2268
• LogD (pH = 7.4): 3.2268
• Log P: 3.2268
• Molar Refractivity: 48.4247 cm^3
• Polarizability: 22.797499 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Flash Point: 1 °F; -17 °C
• Density: 1.01; 1.01 g/mL at 25 °C

Safety Information

• Storage Warning: Air Sensitive
• European Hazard Symbols: Corrosive (C); Flammable (F); Toxic (T)
• UN Number: 2056; UN3399
• German water hazard class: 1
• Hazard Class: 3; 4.3
• Packing Group: 2; II
• Risk Statements: 11-15-19-34-37; 11-19-23/24/25-36/37/38
• Safety Statements: 16-26-28-33-36/37-45; 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: Cl2C6H3ZnI

DETAILS

Sigma Aldrich - 498068

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