iron(3+) ion 9H-fluoren-9-ide cyclopenta-2,4-dien-1-ide hexafluoro-λ5-phosphanuide

• ChemBase编号: 145818
• 分子式: C18H14F6FeP
• 平均质量: 431.1129402
• 单一同位素质量: 431.0086689
• SMILES: c1cc2[CH-]c3ccccc3c2cc1.C1=C[CH-]C=C1.F[P-](F)(F)(F)(F)F.[Fe+3]
• Canonical SMILES: [CH-]1C=CC=C1.c1ccc2c(c1)[CH-]c1c2cccc1.F[P-](F)(F)(F)(F)F.[Fe+3]
• InChI: InChI=1S/C13H9.C5H5.F6P.Fe/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-2-4-5-3-1;1-7(2,3,4,5)6;/h1-9H;1-5H;;/q3*-1;+3
• InChIKey: QTRONKZASQYIQN-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: iron(3+) ion 9H-fluoren-9-ide cyclopenta-2,4-dien-1-ide hexafluoro-λ^5-phosphanuide
• IUPAC传统名: iron(3+) ion 9H-fluoren-9-ide cyclopentadienide hexafluorophosphate
• 别名: 环戊二烯基(芴)铁(II)六氟磷酸; Cyclopentadienyl(fluorene)iron(II) hexafluorophosphate

登记号

• CAS号: 38959-35-2
• MDL号: MFCD02093623
• PubChem SID: 162240020
• PubChem CID: 71311189

理论计算性质

• Acid pKa: 17.789726
• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 3.7390194
• LogD (pH = 7.4): 3.7390194
• Log P: 4.2524
• 摩尔折射率: 54.6154 cm^3
• 极化性: 24.140789 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: 163 °C (dec.)(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

产品相关信息

• 纯度: 98%
• Empirical Formula (Hill Notation): C18H15F6FeP

详细说明

Sigma Aldrich - 484199

包装
1 g in glass bottle
Application

• Catalytic photoinitiator for radical and cationic photochemical polymerization1Reactant for:
• Solid-state synthesis of carbon nanostructures2
• Synthesis of fulvalene-bridged bimetallic compounds based on Pauson-Khand chemistry3