3-(iodomagnesio)thiophene

• ChemBase ID: 151905
• Molecular Formular: C4H3IMgS
• Molecular Mass: 234.34109
• Monoisotopic Mass: 233.8850608
• SMILES: c1cscc1[Mg]I
• Canonical SMILES: I[Mg]c1cscc1
• InChI: InChI=1S/C4H3S.HI.Mg/c1-2-4-5-3-1;;/h1,3-4H;1H;/q;;+1/p-1
• InChIKey: LDERXYCTDNLPTD-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(iodomagnesio)thiophene
• IUPAC Traditional name: 3-(iodomagnesio)thiophene
• Synonyms: 3-Thienylmagnesium iodide solution; 3-噻吩基碘化镁 溶液

Database IDs

• CAS Number: 172035-86-8
• MDL Number: MFCD03427252
• PubChem SID: 24879957; 162246051
• PubChem CID: 10752186

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.4552
• LogD (pH = 7.4): 1.4552
• Log P: 1.4552
• Molar Refractivity: 35.9209 cm^3
• Polarizability: 16.068363 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 °F; -17 °C
• Density: 0.904 g/mL at 25 °C

Safety Information

• European Hazard Symbols: Corrosive (C); Flammable (F)
• UN Number: 2924
• German water hazard class: 1
• Hazard Class: 3
• Packing Group: 2
• Risk Statements: 11-14-19-22-34
• Safety Statements: 16-26-33-36/37/39-45
• RID/ADR: UN 2924 3/PG 2
• Storage Temperature: 2-8°C

Product Information

• Concentration: 0.3 M in THF
• Empirical Formula (Hill Notation): C4H3IMgS

DETAILS

Sigma Aldrich - 561630

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