chloro(2-methylpropyl)magnesium

• ChemBase ID: 136838
• Molecular Formular: C4H9ClMg
• Molecular Mass: 116.87226
• Monoisotopic Mass: 116.02431967
• SMILES: CC(C)C[Mg]Cl
• Canonical SMILES: Cl[Mg]CC(C)C
• InChI: InChI=1S/C4H9.ClH.Mg/c1-4(2)3;;/h4H,1H2,2-3H3;1H;/q;;+1/p-1
• InChIKey: YUPZOKFCNKSJTR-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: chloro(2-methylpropyl)magnesium
• IUPAC Traditional name: chloro(2-methylpropyl)magnesium
• Synonyms: Isobutylmagnesium chloride solution; 异丁基氯化镁 溶液

Database IDs

• CAS Number: 5674-02-2
• MDL Number: MFCD00000471
• Beilstein Number: 3535133
• PubChem SID: 24871641; 162231106; 24853517
• PubChem CID: 4384856

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.4943
• LogD (pH = 7.4): 1.4943
• Log P: 1.4943
• Molar Refractivity: 25.6328 cm^3
• Polarizability: 11.93631 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 65-67 °C
• Flash Point: -1 °F; -18 °C; -40 °C; -40 °F
• Density: 0.83 g/mL at 20 °C; 0.83 g/mL at 25 °C; 0.967 g/mL at 25 °C

Safety Information

• European Hazard Symbols: Corrosive (C); Flammable (F); Highly flammable (F+); Harmful (Xn)
• UN Number: 3399
• German water hazard class: 1; 3
• Hazard Class: 4.3
• Packing Group: 1
• Risk Statements: 11-14-17-19-22-34-67; 11-14-19-22-36/37/38; 12-14/15-19-22-34-66; 14-17-19-22-34-67
• Safety Statements: 16-23-26-36/37/39-45; 16-26-36/37/39-45; 26-36/37/39-45; 7-16-26-29-36/37/39-43.11-45
• GHS Pictograms: GHS02; GHS05; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H225-H250-H260-H302-H314-H336; H250-H260-H302-H314-H336
• GHS Precautionary statements: P210-P222-P223-P231 + P232-P370 + P378-P422; P222-P223-P231 + P232-P261-P370 + P378-P422
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 3399 4.3/PG 1
• Supplemental Hazard Statements: May form explosive peroxides., Reacts violently with water.

Product Information

• Concentration: ~2.0 M in diethyl ether; 2.0 M in diethyl ether; 2.0 M in THF
• Grade: technical
• Linear Formula: (CH3)2CHCH2MgCl

DETAILS

Sigma Aldrich - 479683

Packaging
1 L in Sure/Seal™
100 mL in Sure/Seal™

Sigma Aldrich - 257001

Packaging
200 mL in Sure-Pac™
Recommended products
Angled septum-inlet adapter Z118206 or straight septum-inlet adapter, 6mm I.D. inlet, Z118141 or straight septum-inlet adapter, 13mm I.D. inlet, Z118192 is recommended.

Sigma Aldrich - 225746

Packaging
100, 800 mL in Sure/Seal™