2-(bromomagnesio)-5-chlorothiophene

• ChemBase ID: 151754
• Molecular Formular: C4H2BrClMgS
• Molecular Mass: 221.78568
• Monoisotopic Mass: 219.85995244
• SMILES: c1cc(sc1[Mg]Br)Cl
• Canonical SMILES: Clc1ccc(s1)[Mg]Br
• InChI: InChI=1S/C4H2ClS.BrH.Mg/c5-4-2-1-3-6-4;;/h1-2H;1H;/q;;+1/p-1
• InChIKey: BTGXLAKETDWIAB-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(bromomagnesio)-5-chlorothiophene
• IUPAC Traditional name: 2-(bromomagnesio)-5-chlorothiophene
• Synonyms: 5-Chloro-2-thienylmagnesium bromide; 5-氯-2-噻吩基溴化镁

Database IDs

• CAS Number: 111762-30-2
• MDL Number: MFCD02260211
• PubChem SID: 162245904; 24880132
• PubChem CID: 12345883

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.8237
• LogD (pH = 7.4): 1.8237
• Log P: 1.8237
• Molar Refractivity: 34.4399 cm^3
• Polarizability: 15.855214 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(lit.)
• Flash Point: 1 °F; -17 °C
• Density: 0.969 g/mL at 25 °C(lit.)

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: 0.5 M slurry in THF
• Empirical Formula (Hill Notation): C4H2BrClMgS

DETAILS

Sigma Aldrich - 563803

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