λ2-iron(2+) ion benzene cyclopenta-2,4-dien-1-ide hexafluoro-λ5-phosphanuide

• ChemBase编号: 139510
• 分子式: C11H11F6FeP
• 平均质量: 344.0142202
• 单一同位素质量: 343.9851938
• SMILES: C1=C[CH-]C=C1.c1ccccc1.F[P-](F)(F)(F)(F)F.[Fe+2]
• Canonical SMILES: c1ccccc1.[CH-]1C=CC=C1.F[P-](F)(F)(F)(F)F.[Fe+2]
• InChI: InChI=1S/C6H6.C5H5.F6P.Fe/c1-2-4-6-5-3-1;1-2-4-5-3-1;1-7(2,3,4,5)6;/h1-6H;1-5H;;/q;2*-1;+2
• InChIKey: INUZSRWRIYJJNI-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: λ^2-iron(2+) ion benzene cyclopenta-2,4-dien-1-ide hexafluoro-λ^5-phosphanuide
• IUPAC传统名: λ^2-iron(2+) ion benzene cyclopentadienide hexafluorophosphate
• 别名: 苯并环戊基六氟磷酸铁(II); Benzenecyclopentadienyliron(II) hexafluorophosphate

登记号

• CAS号: 12176-31-7
• MDL号: MFCD05664319
• PubChem SID: 24881498; 162233758
• PubChem CID: 71310256

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 0.95856845
• LogD (pH = 7.4): 0.95856845
• Log P: 2.029
• 摩尔折射率: 14.2078 cm^3
• 极化性: 5.0260315 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

• 外观: solid
• 熔点: 268 °C (dec.)(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

• Empirical Formula (Hill Notation): C11H11F6FeP

详细说明

Sigma Aldrich - 594334

Application
Catalyst for:
• Nitroxide-mediated photochemical-living radical polymerization reactions1
• Assembly of complex photonic crystals2
• Preparation of cyclopentadien-iron-biphenyl hexafluorophosphate ([Cp-Fe-biphenyl]+PF6-) for cationic photopolymerization of epoxy systems3Reactant for:
• LIgand exchange reactions4
• Solid-state synthesis of carbon nanostructures5