λ2-iron(2+) ion bis(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-ide)

• ChemBase编号: 151595
• 分子式: C18H26Fe
• 平均质量: 298.24404
• 单一同位素质量: 298.13838833
• SMILES: CC1=C(C(=C(C)[CH-]1)C)C.CC1=C(C(=C(C)[CH-]1)C)C.[Fe+2]
• Canonical SMILES: CC1=C(C)C(=C([CH-]1)C)C.CC1=C(C)C(=C([CH-]1)C)C.[Fe+2]
• InChI: InChI=1S/2C9H13.Fe/c2*1-6-5-7(2)9(4)8(6)3;/h2*5H,1-4H3;/q2*-1;+2
• InChIKey: VSUTUDRPAASKEB-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: λ^2-iron(2+) ion bis(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-ide)
• IUPAC传统名: λ^2-iron(2+) ion bis(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-ide)
• 别名: 双(四甲基环戊二烯)铁(II); Octamethylferrocene; Bis(tetramethylcyclopentadienyl)iron(II)

登记号

• CAS号: 59568-28-4
• MDL号: MFCD01862457
• PubChem SID: 162245747; 24880032
• PubChem CID: 50919677

理论计算性质

• Acid pKa: 16.327389
• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 2.472445
• LogD (pH = 7.4): 2.472445
• Log P: 4.1168
• 摩尔折射率: 41.8798 cm^3
• 极化性: 15.815795 Å^3
• 极化表面积: 0.0 Å^2
• 可自由旋转的化学键: 0
• 里宾斯基五规则: true

分子性质

理化性质

• 熔点: 120-160 °C(lit.)

安全信息

• 德国WGK号: 3
• 个人保护装置: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
• 保存温度: 2-8°C

产品相关信息

• Empirical Formula (Hill Notation): C18H26Fe

详细说明

Sigma Aldrich - 562416

包装
1 g in glass bottle
Application

• Catalyst for alkyd paint drying via mediation of auto-oxidation reactions1
• Electron donor in photoinduced electron-transfer reduction reactions controlled by conformational distortion2
• Electrocatalytical hydrogen peroxide and glucose sensor3
• Used for inter- and intramolecular quenching of the lowest singlet excited state of porphyrins4