chloro(2,2-dimethylpropyl)magnesium

• ChemBase ID: 136743
• Molecular Formular: C5H11ClMg
• Molecular Mass: 130.89884
• Monoisotopic Mass: 130.03996973
• SMILES: CC(C)(C)C[Mg]Cl
• Canonical SMILES: Cl[Mg]CC(C)(C)C
• InChI: InChI=1S/C5H11.ClH.Mg/c1-5(2,3)4;;/h1H2,2-4H3;1H;/q;;+1/p-1
• InChIKey: ZPEDJLDBSQDLEI-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: chloro(2,2-dimethylpropyl)magnesium
• IUPAC Traditional name: chloro(2,2-dimethylpropyl)magnesium
• Synonyms: Neopentylmagnesium chloride; 2,2-Dimethylpropylmagnesium chloride solution; 2,2-Dimethylpropylmagnesium chloride; Neopentylmagnesium chloride, 1.0M in 2-MeTHF; 氯化新戊烷基镁; 2,2-二甲基丙基氯化镁 溶液; 新戊烷氯化镁, 1.0M 2-MeTHF 溶液

Database IDs

• CAS Number: 13132-23-5
• MDL Number: MFCD00061550
• PubChem SID: 162231013; 24879099
• PubChem CID: 11228816

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.9998
• LogD (pH = 7.4): 1.9998
• Log P: 1.9998
• Molar Refractivity: 30.0309 cm^3
• Polarizability: 13.771031 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Flash Point: -40 °C; -40 °F
• Density: 0.771 g/mL at 25 °C

Safety Information

• Storage Warning: Air & Moisture Sensitive
• European Hazard Symbols: Corrosive (C); Flammable (F)
• UN Number: 3399; UN3399
• German water hazard class: 3
• Hazard Class: 4.3
• Packing Group: 1; II
• Risk Statements: 11-14/15-19-22-34-67; 11-14/15-19-34
• Safety Statements: 16-26-36/37/39-43-45; 8-16-26-36/37/39-43-45
• TSCA Listed: 否
• GHS Pictograms: GHS02; GHS05; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H225-H261-H302-H314-H336; H225-H261-H314
• GHS Precautionary statements: P210-P231 + P232-P261-P280-P305 + P351 + P338-P422; P210-P231+P232-P303+P361+P353-P305+P351+P338-P405-P501A
• RID/ADR: UN 3399 4.3/PG 1
• Supplemental Hazard Statements: May form explosive peroxides., Reacts violently with water.
• Storage Temperature: 2-8°C

Product Information

• Concentration: 1.0 M in diethyl ether; 1.0M in 2-MeTHF
• Linear Formula: (CH3)3CCH2MgCl

DETAILS

Sigma Aldrich - 550213

Packaging
100 mL in Sure/Seal™
Legal Information
Product of Rieke® Metals, Inc.
Rieke is a registered trademark of Rieke Metals, Inc.