magnesium(2+) ion bis(pentamethylcyclopenta-2,4-dien-1-ide)

• ChemBase ID: 134604
• Molecular Formular: C20H30Mg
• Molecular Mass: 294.7572
• Monoisotopic Mass: 294.21979266
• SMILES: CC1=C([C-](C(=C1C)C)C)C.CC1=C([C-](C(=C1C)C)C)C.[Mg+2]
• Canonical SMILES: C[C-]1C(=C(C(=C1C)C)C)C.C[C-]1C(=C(C(=C1C)C)C)C.[Mg+2]
• InChI: InChI=1S/2C10H15.Mg/c2*1-6-7(2)9(4)10(5)8(6)3;/h2*1-5H3;/q2*-1;+2
• InChIKey: QZNMZKZCVOJICG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: magnesium(2+) ion bis(pentamethylcyclopenta-2,4-dien-1-ide)
• IUPAC Traditional name: magnesium(2+) ion bis(pentamethylcyclopenta-2,4-dien-1-ide)
• Synonyms: MgCp2; Bis(pentamethylcyclopentadienyl)magnesium; 双(五甲基环戊二烯)镁

Database IDs

• CAS Number: 74507-64-5
• MDL Number: MFCD00151387
• PubChem SID: 24873640; 162228880
• PubChem CID: 24942212

CALCULATED PROPERTIES

• Acid pKa: 16.574366
• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.7594643
• LogD (pH = 7.4): 2.7594643
• Log P: 4.3233
• Molar Refractivity: 46.921 cm^3
• Polarizability: 17.660542 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Crystalline, Packaged in ampoules; solid
• Melting Point: 230 °C (dec.)(lit.)

Safety Information

• Storage Warning: Air & Moisture Sensitive
• European Hazard Symbols: Flammable (F)
• UN Number: 3391; UN3181
• German water hazard class: 3
• Hazard Class: 4.1; 4.2
• Packing Group: 1; II
• Risk Statements: 11; 17
• Safety Statements: 16-26-36/37/39; 33
• TSCA Listed: 否
• GHS Pictograms: GHS02
• GHS Signal Word: Danger
• GHS Hazard statements: H228; H250
• GHS Precautionary statements: P210-P241-P280-P240-P370+P378A; P222-P231-P422
• Personal Protective Equipment: Eyeshields, Faceshields, Gloves
• RID/ADR: UN 3391 4.2/PG 1

Product Information

• Purity: 99.999% (metals basis); 99.999% trace metals basis
• Grade: electronic grade
• Empirical Formula (Hill Notation): C20H30Mg

DETAILS

Sigma Aldrich - 512540

General description
Atomic number of base material: 12 Magnesium
Packaging
1 g in ampule