chloro[(3,4-dichlorophenyl)methyl]magnesium

• ChemBase ID: 298516
• Molecular Formular: C7H5Cl3Mg
• Molecular Mass: 219.7786
• Monoisotopic Mass: 217.9307249
• SMILES: c1cc(c(cc1C[Mg]Cl)Cl)Cl
• Canonical SMILES: Cl[Mg]Cc1ccc(c(c1)Cl)Cl
• InChI: InChI=1S/C7H5Cl2.ClH.Mg/c1-5-2-3-6(8)7(9)4-5;;/h2-4H,1H2;1H;/q;;+1/p-1
• InChIKey: JTPVDDBUXVULLO-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: chloro[(3,4-dichlorophenyl)methyl]magnesium
• IUPAC Traditional name: chloro[(3,4-dichlorophenyl)methyl]magnesium
• Synonyms: 3,4-Dichlorobenzylmagnesium chloride, 0.25M in 2-MeTHF; 3,4-二氯苄基氯化镁, 0.25M 2-MeTHF 溶液

Database IDs

• CAS Number: 61259-69-6
• MDL Number: MFCD01311472
• PubChem SID: 180684047
• PubChem CID: 24722679

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.093
• LogD (pH = 7.4): 3.093
• Log P: 3.093
• Molar Refractivity: 46.1108 cm^3
• Polarizability: 19.849117 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: 9-16-26-36/37/39-45-60
• TSCA Listed: 否
• GHS Pictograms: GHS02; GHS05
• GHS Hazard statements: H225-H314-H313
• GHS Precautionary statements: P210-P241-P303+P361+P353-P305+P351+P338-P405-P501A

Product Information

• Concentration: 0.25M in 2-MeTHF