bromo(cyclopropyl)magnesium

• ChemBase ID: 147615
• Molecular Formular: C3H5BrMg
• Molecular Mass: 145.2808
• Monoisotopic Mass: 143.94250386
• SMILES: C1CC1[Mg]Br
• Canonical SMILES: Br[Mg]C1CC1
• InChI: InChI=1S/C3H5.BrH.Mg/c1-2-3-1;;/h1H,2-3H2;1H;/q;;+1/p-1
• InChIKey: QUPLLJGAJVXXBW-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: bromo(cyclopropyl)magnesium
• IUPAC Traditional name: bromo(cyclopropyl)magnesium
• Synonyms: Cyclopropylmagnesium bromide solution; 环丙基溴化镁 溶液

Database IDs

• CAS Number: 23719-80-4
• MDL Number: MFCD00672094
• PubChem SID: 24874579; 162241802
• PubChem CID: 11116189

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 0.942
• LogD (pH = 7.4): 0.942
• Log P: 0.942
• Molar Refractivity: 21.6709 cm^3
• Polarizability: 10.335979 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: 0.968 g/mL at 25 °C

Safety Information

• European Hazard Symbols: Flammable (F); Irritant (Xi)
• UN Number: 3399
• German water hazard class: 1
• Hazard Class: 4.3
• Packing Group: 2
• Risk Statements: 11-14-19-36/37/38
• Safety Statements: 16-26
• RID/ADR: UN 3399 4.3/PG 2
• Storage Temperature: 2-8°C

Product Information

• Concentration: 0.5 M in THF
• Empirical Formula (Hill Notation): C3H5BrMg

DETAILS

Sigma Aldrich - 526797

Packaging
25, 100, 800 mL in Sure/Seal™