chloro[(3-chlorophenyl)methyl]magnesium

• ChemBase ID: 298581
• Molecular Formular: C7H6Cl2Mg
• Molecular Mass: 185.33354
• Monoisotopic Mass: 183.96969725
• SMILES: c1cc(cc(c1)Cl)C[Mg]Cl
• Canonical SMILES: Cl[Mg]Cc1cccc(c1)Cl
• InChI: InChI=1S/C7H6Cl.ClH.Mg/c1-6-3-2-4-7(8)5-6;;/h2-5H,1H2;1H;/q;;+1/p-1
• InChIKey: FXQFOXTUJOAWNN-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: chloro[(3-chlorophenyl)methyl]magnesium
• IUPAC Traditional name: chloro[(3-chlorophenyl)methyl]magnesium
• Synonyms: 3-Chlorobenzylmagnesium chloride, 0.50M in 2-MeTHF; 3-氯苄基氯化镁, 0.50M 2-MeTHF 溶液

Database IDs

• CAS Number: 29874-01-9
• MDL Number: MFCD01319894
• PubChem SID: 180684112
• PubChem CID: 13078164

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.575
• LogD (pH = 7.4): 2.575
• Log P: 2.575
• Molar Refractivity: 41.306 cm^3
• Polarizability: 17.887846 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: 8-9-16-20-23-26-30-33-36/37/39-45-60
• TSCA Listed: 否
• GHS Pictograms: GHS02; GHS05
• GHS Hazard statements: H225-H314
• GHS Precautionary statements: P210-P241-P303+P361+P353-P305+P351+P338-P405-P501A

Product Information

• Concentration: 0.50M in 2-MeTHF