cyclopropylmagnesiumylium bromide

• ChemBase ID: 296155
• Molecular Formular: C3H5BrMg
• Molecular Mass: 145.2808
• Monoisotopic Mass: 143.94250386
• SMILES: C1CC1[Mg+].[Br-]
• Canonical SMILES: [Mg+]C1CC1.[Br-]
• 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: cyclopropylmagnesiumylium bromide
• IUPAC Traditional name: cyclopropylmagnesiumylium bromide
• Synonyms: Cyclopropylmagnesium bromide, 0.5M-0.7M in THF; 环丙基溴化镁, 大约0.5M-0.7M THF溶液

Database IDs

• CAS Number: 23719-80-4
• MDL Number: MFCD00672094
• PubChem SID: 180681686
• PubChem CID: 0

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): -0.3258
• LogD (pH = 7.4): -0.3258
• Log P: -0.3258
• Molar Refractivity: 12.8587 cm^3
• Polarizability: 7.235141 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 65°C
• Flash Point: -17°C(1°F)
• Density: 0.968

Safety Information

• Storage Warning: Air & Moisture Sensitive
• European Hazard Symbols: Corrosive (C); Flammable (F)
• UN Number: UN3399
• Hazard Class: 4.3
• Packing Group: II
• Risk Statements: 11-14/15-19-34
• Safety Statements: 16-26-36/37/39-43-45
• TSCA Listed: 否
• GHS Pictograms: GHS02; GHS05
• GHS Hazard statements: H225-H261-H314-H318
• GHS Precautionary statements: P210-P280-P303+P361+P353-P305+P351+P338-P310-P370+P378I

Product Information

• Concentration: 0.5M-0.7M in THF