iodo[2-(methylsulfanyl)phenyl]zinc

• ChemBase ID: 146573
• Molecular Formular: C7H7ISZn
• Molecular Mass: 315.47995
• Monoisotopic Mass: 313.86046122
• SMILES: CSc1ccccc1[Zn]I
• Canonical SMILES: I[Zn]c1ccccc1SC
• InChI: InChI=1S/C7H7S.HI.Zn/c1-8-7-5-3-2-4-6-7;;/h2-5H,1H3;1H;/q;;+1/p-1
• InChIKey: KSRMNUCGADEFKS-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: iodo[2-(methylsulfanyl)phenyl]zinc
• IUPAC Traditional name: iodo[2-(methylsulfanyl)phenyl]zinc
• Synonyms: 2-(Methylthio)phenylzinc iodide solution; 2-(甲硫基)苯基碘化锌 溶液

Database IDs

• CAS Number: 308796-24-9
• EC Number: 203-726-8
• MDL Number: MFCD01863640
• PubChem SID: 24873280; 162240767
• PubChem CID: 5153188

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.8461
• LogD (pH = 7.4): 2.8461
• Log P: 2.8461
• Molar Refractivity: 51.574 cm^3
• Polarizability: 23.564754 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Flash Point: 1.4 °F; -17 °C
• Density: 1.013 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: 16-29-33
• 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 2056 3/PG 2
• Supplemental Hazard Statements: May form explosive peroxides.
• Storage Temperature: 2-8°C

Product Information

• Concentration: 0.5 M in THF
• Linear Formula: CH3SC6H4ZnI

DETAILS

Sigma Aldrich - 499420

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