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

• ChemBase编号: 130994
• 分子式: C12H10FeO4
• 平均质量: 274.0504
• 单一同位素质量: 273.9928463
• SMILES: [CH-]1C=CC(=C1)C(=O)O.[CH-]1C=CC(=C1)C(=O)O.[Fe+2]
• Canonical SMILES: OC(=O)C1=C[CH-]C=C1.OC(=O)C1=C[CH-]C=C1.[Fe+2]
• InChI: InChI=1S/2C6H5O2.Fe/c2*7-6(8)5-3-1-2-4-5;/h2*1-4H,(H,7,8);/q2*-1;+2
• InChIKey: LDSUEKXPKCHROT-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: λ^2-iron(2+) ion bis(3-carboxycyclopenta-2,4-dien-1-ide)
• IUPAC传统名: λ^2-iron(2+) ion bis(3-carboxycyclopenta-2,4-dien-1-ide)
• 别名: 1,1′-二茂铁二羧酸; 1,1′-Biscarboxylferrocene; 1,1′-Dicarboxyferrocene; 1,1′-Ferrocenedicarboxylic acid

登记号

• CAS号: 1293-87-4
• EC号: 215-068-9
• MDL号: MFCD00001423
• PubChem SID: 162225272; 24846746
• PubChem CID: 50918932

理论计算性质

• Acid pKa: 4.548758
• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): -0.062101122
• LogD (pH = 7.4): -1.8350912
• Log P: 1.7639
• 摩尔折射率: 28.9712 cm^3
• 极化性: 11.007128 Å^3
• 极化表面积: 37.3 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: true

分子性质

理化性质

• 熔点: ≥300 °C(lit.)

安全信息

• 欧盟危险性物质标志: 刺激性(Irritant) (Xi)
• 德国WGK号: 3
• 危险公开号: 36/37/38
• 安全公开号: 26-36
• GHS危险品标识: GHS07
• GHS警示词: Warning
• GHS危险声明: H315-H319-H335
• GHS警示性声明: P261-P305 + P351 + P338
• 个人保护装置: dust mask type N95 (US), Eyeshields, Gloves

产品相关信息

• 纯度: ≥97.0% (T); 96%
• 级别: purum
• 杂质: <3% ferrocenecarboxylic acid
• Empirical Formula (Hill Notation): C12H10FeO4

详细说明

Sigma Aldrich - F2144

Application
Reactant for preparation of:
• Planar chiral ferrocene-based amido-phosphine ligands as catalysts for asymmetric allylic alkylation reactions1
• Potential antitumor agents2
• Isostructural ferrocenyl coordination polymer hollow microspheres with H2 storage properties3
• Prganometallic aromatic polyesters4
• Manganese-lanthanide-ferrocene clusters5

Sigma Aldrich - 106895

包装
1, 5 g in glass bottle
Application
Reactant for preparation of:
• Planar chiral ferrocene-based amido-phosphine ligands as catalysts for asymmetric allylic alkylation reactions1
• Potential antitumor agents2
• Isostructural ferrocenyl coordination polymer hollow microspheres with H2 storage properties3
• Prganometallic aromatic polyesters4
• Manganese-lanthanide-ferrocene clusters5

Sigma Aldrich - 46267

Application
Reactant for preparation of:
• Planar chiral ferrocene-based amido-phosphine ligands as catalysts for asymmetric allylic alkylation reactions1
• Potential antitumor agents2
• Isostructural ferrocenyl coordination polymer hollow microspheres with H2 storage properties3
• Prganometallic aromatic polyesters4
• Manganese-lanthanide-ferrocene clusters5