lithium(1+) ion 1-(chloromagnesio)-2,2,6,6-tetramethylpiperidine chloride

• ChemBase ID: 141157
• Molecular Formular: C9H18Cl2LiMgN
• Molecular Mass: 242.39792
• Monoisotopic Mass: 241.08267619
• SMILES: [Li+].CC1(CCCC(N1[Mg]Cl)(C)C)C.[Cl-]
• Canonical SMILES: Cl[Mg]N1C(C)(C)CCCC1(C)C.[Li+].[Cl-]
• InChI: InChI=1S/C9H18N.2ClH.Li.Mg/c1-8(2)6-5-7-9(3,4)10-8;;;;/h5-7H2,1-4H3;2*1H;;/q-1;;;+1;+2/p-2
• InChIKey: JHBZAAACZVPPRQ-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: lithium(1+) ion 1-(chloromagnesio)-2,2,6,6-tetramethylpiperidine chloride
• IUPAC Traditional name: lithium(1+) ion 1-(chloromagnesio)-2,2,6,6-tetramethylpiperidine chloride
• Synonyms: 2,2,6,6-Tetramethylpiperidinylmagnesium chloride lithium chloride complex solution; 2,2,6,6-四甲基哌啶基氯化镁氯化锂复合物 溶液

Database IDs

• CAS Number: 898838-07-8
• MDL Number: MFCD12546030
• PubChem SID: 162235392
• PubChem CID: 23690313

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): -1.9464961
• LogD (pH = 7.4): -1.9404184
• Log P: 1.3272
• Molar Refractivity: 50.2857 cm^3
• Polarizability: 21.941063 Å^3
• Polar Surface Area: 3.24 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Flash Point: -15 °C; 5 °F
• Density: 0.96 g/mL at 25 °C

Safety Information

• European Hazard Symbols: Corrosive (C); Flammable (F)
• UN Number: 3399
• German water hazard class: 3
• Hazard Class: 4.3
• Packing Group: 1
• Risk Statements: 63-11-14-19-34-37
• Safety Statements: 16-26-36/37/39-45
• GHS Pictograms: GHS02; GHS07; GHS08
• GHS Signal Word: Danger
• GHS Hazard statements: H225-H315-H319-H335-H361d
• GHS Precautionary statements: P210-P261-P281-P305 + P351 + P338
• RID/ADR: UN 3399 4.3/PG 1
• Supplemental Hazard Statements: May form explosive peroxides.
• Storage Temperature: 2-8°C

Product Information

• Concentration: 1.0 M in THF/toluene; 20 % (w/w)
• Empirical Formula (Hill Notation): C9H18Cl2LiMgN

DETAILS

Sigma Aldrich - 703540

Packaging
100 mL in Sure/Seal™
Legal Information
Product of Rockwood Lithium
Application
Selective Deprotonations using Knochel-Hauser-Base