bis(cyclopentane) iron

• ChemBase ID: 105435
• Molecular Formular: C10H20Fe
• Molecular Mass: 196.1108
• Monoisotopic Mass: 196.09143814
• SMILES: [Fe].C1CCCC1.C1CCCC1
• Canonical SMILES: C1CCCC1.C1CCCC1.[Fe]
• InChI: InChI=1S/2C5H10.Fe/c2*1-2-4-5-3-1;/h2*1-5H2
• InChIKey: KPCCMGYPEIQAEN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: bis(cyclopentane) iron
• IUPAC Traditional name: bis(cyclopentamin) iron
• Synonyms: Bis(cyclopentadienyl)iron; Di(cyclopentadienyl)iron; FERROCENE

Database IDs

• CAS Number: 102-54-5
• EC Number: 203-039-3
• PubChem SID: 162092506
• PubChem CID: 14573963

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.2228434
• LogD (pH = 7.4): 2.2228434
• Log P: 2.2228434
• Molar Refractivity: 23.005 cm^3
• Polarizability: 9.23521 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 1539 °C
• Boiling Point: 2735 °C at 1013 hPa
• Auto Ignition Point: > 100 °C
• Density: 7.87 g/cm^3 at 25 °C
• Vapor Pressure: ca. .000001 hPa at 25 °C

Safety Information

• Storage Condition: Room Temperature (15-30°C)
• RTECS: LK0700000
• European Hazard Symbols: Harmful (Xn)
• Risk Statements: R:22-45-36/37/38
• Safety Statements: S:25-26-36/37/39-53
• EU Hazard Identification Number: 11

Product Information

• Purity: 98%

DETAILS

MP Biomedicals - 02190207

Crystalline
Purity: 98%