hexakis(methanidylidyneoxidanium) molybdenum

• ChemBase编号: 78460
• 分子式: C6MoO6
• 平均质量: 264.0206
• 单一同位素质量: 265.87489572
• SMILES: [O+]#[C-].[O+]#[C-].[O+]#[C-].[O+]#[C-].[O+]#[C-].[O+]#[C-].[Mo]
• Canonical SMILES: [O+]#[C-].[O+]#[C-].[O+]#[C-].[O+]#[C-].[O+]#[C-].[O+]#[C-].[Mo]
• InChI: InChI=1S/6CO.Mo/c6*1-2
• InChIKey: KMKBZNSIJQWHJA-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: hexakis(methanidylidyneoxidanium) molybdenum
• IUPAC传统名: hexakis(carbon monoxide) molybdenum
• 别名: 羰化钼; 六羰基钼; Hexacarbonylmolybdenum(0); Molybdenumhexacarbonyl; Molybdenum carbonyl 98%; MOLYBDENUM CARBONYL; Molybdenum hexacarbonyl; Molybdenum carbonyl; Hexacarbonylmolybdenum

登记号

• CAS号: 13939-06-5
• EC号: 237-713-3
• MDL号: MFCD00003466
• PubChem SID: 24880893; 24885991; 24851946; 162043227
• PubChem CID: 2724068

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

• 外观: Crystalline, may contain up to 1% Cr; solid
• 熔点: 150 °C (dec.)(lit.); 150°C; 150-151(dec.)°C; ca 150°C dec.
• 沸点: 156 °C(lit.); 156°C
• 密度: 1.96; 1.96 g/mL at 25 °C(lit.)
• 蒸汽密度: 9.1 (vs air)

安全信息

• 保存注意事项: Very Toxic/Store under Argon
• 欧盟危险性物质标志: 剧毒(Highly toxic) (T+); 有害性(Harmful) (Xn)
• 联合国危险货物编号: 3466; UN3466
• 德国WGK号: 3
• 联合国危险货物等级: 6.1
• 联合国危险货物包装类别(PG): 2; II
• 危险公开号: 26/27/28; 26/28; R:22
• 安全公开号: 28-36-45; 36/37/39-45; S:36/37/39
• TSCA收录: 是
• GHS危险品标识: GHS06
• GHS警示词: Danger
• GHS危险声明: H300-H310-H330; H300-H330
• GHS警示性声明: P260-P264-P280-P284-P301 + P310-P302 + P350; P260-P264-P280-P284-P302 + P350-P310; P280F-P302+P352-P304+P340-P310
• 个人保护装置: Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges; Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges
• RID/ADR: UN 3466 6.1/PG 2

产品相关信息

• 纯度: ≥99.9% trace metals basis; 98%
• 级别: technical
• 提纯方法: sublimation
• 线性分子式: Mo(CO)6

详细说明

Sigma Aldrich - 199958

包装
10, 50, 250 g in glass bottle

Sigma Aldrich - 577766

General description
Atomic number of base material: 42 Molybdenum
包装
5, 25 g in glass bottle

Sigma Aldrich - 69875

包装
5, 25, 100 g in glass bottle

参考文献

• Catalyst and reagent in a variety of applications. Alternative to Octacarbonyldicobalt, 13060 for the Pauson-Khand [2 + 2 + 1] cycloaddition of an alkyne, an alkene and carbon monoxide to form a cyclopentenone: Tetrahedron Lett., 34, 4027 (1993); Org. Lett., 7, 431 (2005). For a brief survey of uses in synthesis, see: Synlett, 1195 (2005).