chloro[(2-chloro-4-fluorophenyl)methyl]magnesium

• ChemBase ID: 298895
• Molecular Formular: C7H5Cl2FMg
• Molecular Mass: 203.3240032
• Monoisotopic Mass: 201.96027544
• SMILES: c1cc(c(cc1F)Cl)C[Mg]Cl
• Canonical SMILES: Cl[Mg]Cc1ccc(cc1Cl)F
• InChI: InChI=1S/C7H5ClF.ClH.Mg/c1-5-2-3-6(9)4-7(5)8;;/h2-4H,1H2;1H;/q;;+1/p-1
• InChIKey: OZJKBWNFWNPFBE-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: chloro[(2-chloro-4-fluorophenyl)methyl]magnesium
• IUPAC Traditional name: chloro[(2-chloro-4-fluorophenyl)methyl]magnesium
• Synonyms: 2-Chloro-4-fluorobenzylmagnesium chloride, 0.25M in 2-MeTHF; 2-氯-4-氟苄基氯化镁, 0.25M 2-MeTHF 溶液

Database IDs

• MDL Number: MFCD06201599
• PubChem SID: 180684426
• PubChem CID: 73995970

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.7145
• LogD (pH = 7.4): 2.7145
• Log P: 2.7145
• Molar Refractivity: 41.5224 cm^3
• Polarizability: 17.660364 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Air & Moisture Sensitive
• European Hazard Symbols: Corrosive (C); Flammable (F)
• UN Number: UN2924
• Hazard Class: 3
• Packing Group: II
• Risk Statements: 11-14-19-34
• Safety Statements: 8-16-26-36/37-39-43-45
• TSCA Listed: 否
• GHS Pictograms: GHS02; GHS05
• GHS Hazard statements: H224-H314-H318-EUH014
• GHS Precautionary statements: P210-P241-P303+P361+P353-P305+P351+P338-P405-P501

Product Information

• Concentration: 0.25M in 2-MeTHF