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

• ChemBase ID: 136575
• Molecular Formular: C10H10Mg
• Molecular Mass: 154.4914
• Monoisotopic Mass: 154.06329202
• SMILES: C1=C[CH-]C=C1.C1=C[CH-]C=C1.[Mg+2]
• Canonical SMILES: [CH-]1C=CC=C1.[CH-]1C=CC=C1.[Mg+2]
• InChI: InChI=1S/2C5H5.Mg/c2*1-2-4-5-3-1;/h2*1-5H;/q2*-1;+2
• InChIKey: WGESBNRUPISICS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: magnesium(2+) ion bis(cyclopenta-2,4-dien-1-ide)
• IUPAC Traditional name: magnesium(2+) ion bis(cyclopentadienide)
• Synonyms: MgCp2; Bis(cyclopentadienyl)magnesium(II); 双(环戊二烯)镁(II)

Database IDs

• CAS Number: 1284-72-6
• MDL Number: MFCD00134487
• PubChem SID: 24896188; 24863618; 162230845
• PubChem CID: 24942211

CALCULATED PROPERTIES

• Acid pKa: 16.226988
• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.499
• LogD (pH = 7.4): 1.499
• Log P: 2.248
• Molar Refractivity: 21.715 cm^3
• Polarizability: 8.791516 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: solid
• Melting Point: 180 °C (dec.)(lit.)
• Flash Point: 21 °C; 69.8 °F

Safety Information

• European Hazard Symbols: Corrosive (C); Flammable (F)
• UN Number: 3393
• German water hazard class: 3
• Hazard Class: 4.2
• Packing Group: 1
• Risk Statements: 11-14-17-34
• Safety Statements: 8-26-36/37/39-43-45
• GHS Pictograms: GHS02; GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: H228-H250-H261-H314
• GHS Precautionary statements: P210-P222-P231 + P232-P280-P305 + P351 + P338-P422
• Personal Protective Equipment: Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges
• RID/ADR: UN 3393 4.2/PG 1
• Supplemental Hazard Statements: Reacts violently with water.

Product Information

• Purity: ≥99.99% trace metals basis (excludes ~300ppm Al); 97%
• Purified By: sublimation
• Linear Formula: Mg(C5H5)2

DETAILS

Sigma Aldrich - 379131

Packaging
1 g in ampule

Sigma Aldrich - J100042

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