(3-chloro-4-methylphenyl)(iodo)zinc

• ChemBase ID: 141809
• Molecular Formular: C7H6ClIZn
• Molecular Mass: 317.86001
• Monoisotopic Mass: 315.84941787
• SMILES: Cc1ccc(cc1Cl)[Zn]I
• Canonical SMILES: I[Zn]c1ccc(c(c1)Cl)C
• InChI: InChI=1S/C7H6Cl.HI.Zn/c1-6-4-2-3-5-7(6)8;;/h2,4-5H,1H3;1H;/q;;+1/p-1
• InChIKey: WFTAKZWHWNEKJV-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: (3-chloro-4-methylphenyl)(iodo)zinc
• IUPAC Traditional name: (3-chloro-4-methylphenyl)(iodo)zinc
• Synonyms: 3-Chloro-4-methylphenylzinc iodide solution; 3-氯-4-甲苯基碘化锌 溶液

Database IDs

• CAS Number: 352525-66-7
• MDL Number: MFCD01311461
• PubChem SID: 162236043; 24873146
• PubChem CID: 16213680

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.176
• LogD (pH = 7.4): 3.176
• Log P: 3.176
• Molar Refractivity: 48.6611 cm^3
• Polarizability: 22.471815 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Flash Point: 1.4 °F; -17 °C
• Density: 1.026 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: 11-19-36/37
• Safety Statements: 16-26
• 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 2056 3/PG 2
• Supplemental Hazard Statements: May form explosive peroxides.
• Storage Temperature: 2-8°C

Product Information

• Concentration: 0.5 M in THF
• Impurities: 1-3% inorganic chloride
• Linear Formula: ClC6H3(CH3)ZnI

DETAILS

Sigma Aldrich - 497800

Packaging
100 mL in Sure/Seal™