2-(bromomagnesio)thiophene

• ChemBase ID: 145831
• Molecular Formular: C4H3BrMgS
• Molecular Mass: 187.34062
• Monoisotopic Mass: 185.8989248
• SMILES: c1cc(sc1)[Mg]Br
• Canonical SMILES: Br[Mg]c1cccs1
• InChI: InChI=1S/C4H3S.BrH.Mg/c1-2-4-5-3-1;;/h1-3H;1H;/q;;+1/p-1
• InChIKey: GSHPYJFNTAMRJF-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(bromomagnesio)thiophene
• IUPAC Traditional name: 2-(bromomagnesio)thiophene
• Synonyms: 2-Thienylmagnesium bromide solution; 2-噻吩基溴化镁 溶液

Database IDs

• CAS Number: 5713-61-1
• MDL Number: MFCD03094046
• PubChem SID: 24879115; 162240033
• PubChem CID: 11074151

CALCULATED PROPERTIES

• Polarizability: 13.805064 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true
• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.3812
• LogD (pH = 7.4): 1.3812
• Log P: 1.3812
• Molar Refractivity: 30.4752 cm^3

PROPERTIES

Physical Property

• Boiling Point: 65 °C
• Flash Point: -21 °C; -6 °F
• Density: 1.011 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: 11-14-19-22-34-40
• Safety Statements: 16-26-36/37/39-45
• RID/ADR: UN 2924 3/PG 2

Product Information

• Concentration: 1.0 M in THF
• Empirical Formula (Hill Notation): C4H3BrMgS

DETAILS

Sigma Aldrich - 550442

Packaging
50 mL in Sure/Seal™