pentakis(methanidylidyneoxidanium) iron

• ChemBase编号: 123422
• 分子式: C5FeO5
• 平均质量: 195.8955
• 单一同位素质量: 195.9095106
• SMILES: [O+]#[C-].[O+]#[C-].[O+]#[C-].[O+]#[C-].[O+]#[C-].[Fe]
• Canonical SMILES: [O+]#[C-].[O+]#[C-].[O+]#[C-].[O+]#[C-].[O+]#[C-].[Fe]
• InChI: InChI=1S/5CO.Fe/c5*1-2
• InChIKey: FYOFOKCECDGJBF-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: pentakis(methanidylidyneoxidanium) iron
• IUPAC传统名: pentakis(carbon monoxide) iron
• 别名: 五羰基铁; 羰基铁; 五羰基铁; pentakis(methanidylidyneoxidanium) iron; Iron pentacarbonyl; Iron carbonyl; Pentacarbonyliron; Iron(0) carbonyl; Pentacarbonyliron(0); Iron(0) pentacarbonyl; Pentacarbonyl iron; Iron carbonyl; Iron pentacarbonyl

登记号

• CAS号: 13463-40-6
• EC号: 236-670-8
• MDL号: MFCD00011001
• 默克索引号: 145099
• PubChem SID: 162217775; 24851709; 24871777
• PubChem CID: 26040
• CHEBI ID: 30251
• Chemspider ID: 24254
• 美国药典/FDA物质标识码: 6WQ62TAQ6Z
• 维基百科标题: Iron_pentacarbonyl

理论计算性质

• Acid pKa: 15.189176
• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): -3.9616656
• LogD (pH = 7.4): -3.9616656
• Log P: -3.9616656
• 摩尔折射率: 26.2298 cm^3
• 极化性: 2.2798557 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

• 溶解度: Insoluble in water; Soluble in nickel tetracarbonyl and organic solvents. Insoluble in water; Soluble in organic solvents ; slightly soluble in alcohol ; insoluble in ammonia
• 外观: Liquid; straw-yellow liquid
• 熔点: -20 °C(lit.); -20°C; -21.0°C
• 沸点: 103 °C(lit.); 103°C; 103°C (200°C dec.)
• 闪点: −15 °C; -15 °C; -15°C(5°F); 5 °F
• 自燃点: 122 °F; 49 °C
• 密度: 1.453 g/cm^3; 1.457; 1.49 g/mL at 25 °C(lit.)
• 折射率: 1.453 (20 °C); 1.5196; n20/D 1.5196(lit.)
• 蒸汽压: 35 mmHg ( 25 °C); 40 mmHg ( 30.3 °C)
• 蒸汽密度: 6.74 (vs air)
• 气味: musty

安全信息

• 保存注意事项: Air & Light Sensitive
• RTECS编号: NO4900000
• 欧盟危险性物质标志: 易燃性(Flammable) (F); 剧毒(Highly toxic) (T+)
• 联合国危险货物编号: 1994; UN1994
• 德国WGK号: 2
• 联合国危险货物等级: 6.1
• 联合国危险货物包装类别(PG): 1; I
• 危险公开号: 11-24-26/28
• 安全公开号: 16-26-28-36/37/39-45; 4-9-16-20-23-27/28-33-36/37/39-45-60
• TSCA收录: 是
• GHS危险品标识: GHS02; GHS06
• GHS警示词: Danger
• 主要危害: Very toxic, highly flammable
• NFPA704:
  

  3

  1

  1
• 半数致死量: 25 mg/kg (rat, oral)
• 爆炸极限: 3.7–12.5%
• GHS危险声明: H225-H300 + H330-H311; H225-H300-H310-H330
• GHS警示性声明: P210-P260-P264-P280-P284-P301 + P310; P210-P280H-P302+P352-P304+P340-P310
• 个人保护装置: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 1994 6.1/PG 1
• 保存温度: 2-8°C

产品相关信息

• 纯度: >99.99% trace metals basis; 99.5%
• 线性分子式: Fe(CO)5

详细说明

Sigma Aldrich - 195731

包装
1 kg in Sure/Seal™
50, 250 g in Sure/Seal™
Application
Reactant for:
• Addition reactions1
• Decomposition via photolysis2
• Preparation of magnetic Fe onion-like fullerene micrometer-sized particles of narrow size distribution via thermal decomposition3
• Preparation of a heptanuclear iron carbonyl cluster used in catalytic hydrosilane reduction of carboxamides4
• Precursor for preparation of Fe nanoparticles for photocatalytic hydrogen evolution under highly basic conditions5

Sigma Aldrich - 481718

General description
Atomic number of base material: 26 Iron
包装
25, 100 mL in Sure/Seal™
Application
Reactant for:
• Addition reactions1
• Decomposition via photolysis2
• Preparation of magnetic Fe onion-like fullerene micrometer-sized particles of narrow size distribution via thermal decomposition3
• Preparation of a heptanuclear iron carbonyl cluster used in catalytic hydrosilane reduction of carboxamides4
• Precursor for preparation of Fe nanoparticles for photocatalytic hydrogen evolution under highly basic conditions5
Protocols & Applications
Chemical Synthesis of Monodisperse Magnetic Nanoparticles