butyl(chloro)magnesium

• ChemBase ID: 137507
• 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: butyl(chloro)magnesium
• IUPAC Traditional name: butyl(chloro)magnesium
• Synonyms: Butylmagnesium chloride solution; 丁基氯化镁 溶液

Database IDs

• CAS Number: 693-04-9
• MDL Number: MFCD00000475
• Beilstein Number: 3587228
• PubChem SID: 24877719; 24853432; 24857504; 162231769
• PubChem CID: 101837

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.4878
• LogD (pH = 7.4): 1.4878
• Log P: 1.4878
• Molar Refractivity: 25.7622 cm^3
• Polarizability: 11.936293 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Flash Point: 1.4 °F; 104 °F; -17 °C; 40 °C
• Density: 0.828 g/mL at 25 °C; 0.945 g/mL at 25 °C; 0.962 g/mL at 20 °C; 0.962 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; 2
• Risk Statements: 10-14/15-34; 11-14/15-19-34-37; 14/15-19-22-34-67
• Safety Statements: 16-26-36/37/39-43-45; 26-36/37/39-43-45
• GHS Pictograms: GHS02; GHS05; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H225-H250-H260-H314-H335; H226-H250-H260-H314; H250-H260-H302-H314-H336
• GHS Precautionary statements: P210-P222-P223-P231 + P232-P370 + P378-P422; P222-P223-P231 + P232-P261-P370 + P378-P422; P222-P223-P231 + P232-P280-P370 + P378-P422
• Personal Protective Equipment: Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 3399 4.3/PG 1; UN 3399 4.3/PG 2
• Supplemental Hazard Statements: May form explosive peroxides., Reacts violently with water.; Reacts violently with water.
• Storage Temperature: 2-8°C

Product Information

• Concentration: ~2 M in THF; 1.45 M in butyl diglyme; 2.0 M in diethyl ether; 2.0 M in THF
• Linear Formula: CH3(CH2)3MgCl

DETAILS

Sigma Aldrich - 291005

Packaging
100, 800 mL in Sure/Seal™

Sigma Aldrich - 256641

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 - 529923

Packaging
100 mL in Sure/Seal™

Sigma Aldrich - 224375

Packaging
100, 800 mL in Sure/Seal™