λ2-iron(2+) ion bis(3-(dimethylsilyl)cyclopenta-2,4-dien-1-ide)

• ChemBase ID: 149049
• Molecular Formular: C14H22FeSi2
• Molecular Mass: 302.34048
• Monoisotopic Mass: 302.06094127
• SMILES: C[SiH](C)C1=C[CH-]C=C1.C[SiH](C)C1=C[CH-]C=C1.[Fe+2]
• Canonical SMILES: C[SiH](C1=C[CH-]C=C1)C.C[SiH](C1=C[CH-]C=C1)C.[Fe+2]
• InChI: InChI=1S/2C7H11Si.Fe/c2*1-8(2)7-5-3-4-6-7;/h2*3-6,8H,1-2H3;/q2*-1;+2
• InChIKey: CSCIXEARHHBCQC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: λ^2-iron(2+) ion bis(3-(dimethylsilyl)cyclopenta-2,4-dien-1-ide)
• IUPAC Traditional name: λ^2-iron(2+) ion bis(3-(dimethylsilyl)cyclopenta-2,4-dien-1-ide)
• Synonyms: 1,1′-Bis(dimethylsilyl)ferrocene; 1,1′-双(二甲基硅基)二茂铁

Database IDs

• CAS Number: 1295-15-4
• MDL Number: MFCD03093970
• PubChem SID: 24878465; 162243218
• PubChem CID: 71311380

CALCULATED PROPERTIES

• Acid pKa: 16.257647
• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 0.4811
• LogD (pH = 7.4): 0.4811
• Log P: 2.0086
• Molar Refractivity: 33.0295 cm^3
• Polarizability: 15.3716545 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 294-295 °C(lit.)
• Flash Point: 122 °F; 50 °C
• Density: 1.007 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.564(lit.)

Safety Information

• UN Number: 1993
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 3
• Risk Statements: 10
• Safety Statements: 16
• GHS Pictograms: GHS02
• GHS Signal Word: Warning
• GHS Hazard statements: H226
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 1993 3/PG 3

Product Information

• Purity: 97%
• Empirical Formula (Hill Notation): C14H22FeSi2

DETAILS

Sigma Aldrich - 540404

Packaging
1 mL in glass bottle
Application

• Catalytic co-initiator in free radical photopolymerization and free radical promoted cationic polymerization reactions1Reactant for:
• Hydrosilylataion and hydroboration reactions2
• Platinum/nickel catalyzed selective hydrosilylation of alkynes and alkenes3
• Iron-catalyzed dehydrogenative coupling reactions4
• Hydrosilylation and double silylation of carbonyl compounds5