butylmagnesiumylium chloride

• ChemBase ID: 303611
• Molecular Formular: C4H9ClMg
• Molecular Mass: 116.87226
• Monoisotopic Mass: 116.02431967
• SMILES: CCCC[Mg+].[Cl-]
• Canonical SMILES: CCCC[Mg+].[Cl-]
• InChI: InChI=1S/C4H9.ClH.Mg/c1-3-4-2;;/h1,3-4H2,2H3;1H;/q;;+1/p-1
• InChIKey: UUNGXYVLXYGZKH-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: butylmagnesiumylium chloride
• IUPAC Traditional name: butylmagnesiumylium chloride
• Synonyms: n-Butylmagnesium chloride, 1.5-2.5M in THF; n-Butylmagnesium chloride, 1.5-2.5 M in THF; 正丁基氯化镁, 1.5-2.5M THF溶液; 正丁基氯化镁, 1.5-2.5M THF溶液, 氩气下可重封的 ChemSeal™瓶包装

Database IDs

• CAS Number: 693-04-9
• EC Number: 211-739-5
• MDL Number: MFCD00000475
• Beilstein Number: 3587228

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 0.5929
• LogD (pH = 7.4): 0.5929
• Log P: 0.5929
• Molar Refractivity: 19.4719 cm^3
• Polarizability: 9.812324 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Liquid

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: 9-16-23-26-36/37/39-43-45
• TSCA Listed: 是
• GHS Pictograms: GHS02; GHS05
• GHS Hazard statements: H224-H261-H314-H318
• GHS Precautionary statements: P210-P231+P232-P303+P361+P353-P305+P351+P338-P405-P501A

Product Information

• Concentration: 1.5-2.5M in THF
• Packaging: packaged under Argon in resealable ChemSeal? bottles