chloro(cyclohexyl)magnesium

• ChemBase ID: 137479
• Molecular Formular: C6H11ClMg
• Molecular Mass: 142.90954
• Monoisotopic Mass: 142.03996973
• SMILES: C1CCC(CC1)[Mg]Cl
• Canonical SMILES: Cl[Mg]C1CCCCC1
• InChI: InChI=1S/C6H11.ClH.Mg/c1-2-4-6-5-3-1;;/h1H,2-6H2;1H;/q;;+1/p-1
• InChIKey: WMJMABVHDMRMJA-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: chloro(cyclohexyl)magnesium
• IUPAC Traditional name: chloro(cyclohexyl)magnesium
• Synonyms: Cyclohexylmagnesium chloride solution; 环己氯化镁 溶液

Database IDs

• CAS Number: 931-51-1
• MDL Number: MFCD00003816
• Beilstein Number: 3535440
• PubChem SID: 24855546; 24853436; 162231741
• PubChem CID: 13605

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.8303
• LogD (pH = 7.4): 1.8303
• Log P: 1.8303
• Molar Refractivity: 32.875 cm^3
• Polarizability: 14.886723 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Flash Point: -40 °C; -40 °F
• Density: 0.871 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: 11-14-19-22-34-67; 14-19-22-34-67
• Safety Statements: 16-26-36/37/39-45; 26-36/37/39-45
• GHS Pictograms: GHS02; GHS05; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H225-H302-H314-H336; H302-H314-H336
• GHS Precautionary statements: P210-P261-P280-P305 + P351 + P338-P310; P261-P280-P305 + P351 + P338-P310
• 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
• Supplemental Hazard Statements: May form explosive peroxides., Reacts violently with water.

Product Information

• Concentration: 2.0 M in diethyl ether
• Empirical Formula (Hill Notation): C6H11ClMg

DETAILS

Sigma Aldrich - 224413

Packaging
100, 800 mL in Sure/Seal™

Sigma Aldrich - 256692

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.