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

• ChemBase编号: 149049
• 分子式: C14H22FeSi2
• 平均质量: 302.34048
• 单一同位素质量: 302.06094127
• SMILES: C[SiH](C)C1=C[CH-]C=C1.C[SiH](C)C1=C[CH-]C=C1.[Fe+2]
• Canonical SMILES: C[SiH](C1=C[CH-]C=C1)C.C[SiH](C1=C[CH-]C=C1)C.[Fe+2]
• InChI: InChI=1S/2C7H11Si.Fe/c2*1-8(2)7-5-3-4-6-7;/h2*3-6,8H,1-2H3;/q2*-1;+2
• InChIKey: CSCIXEARHHBCQC-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: λ^2-iron(2+) ion bis(3-(dimethylsilyl)cyclopenta-2,4-dien-1-ide)
• IUPAC传统名: λ^2-iron(2+) ion bis(3-(dimethylsilyl)cyclopenta-2,4-dien-1-ide)
• 别名: 1,1′-双(二甲基硅基)二茂铁; 1,1′-Bis(dimethylsilyl)ferrocene

登记号

• CAS号: 1295-15-4
• MDL号: MFCD03093970
• PubChem SID: 24878465; 162243218
• PubChem CID: 71311380

理论计算性质

• Acid pKa: 16.257647
• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 0.4811
• LogD (pH = 7.4): 0.4811
• Log P: 2.0086
• 摩尔折射率: 33.0295 cm^3
• 极化性: 15.3716545 Å^3
• 极化表面积: 0.0 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

• 沸点: 294-295 °C(lit.)
• 闪点: 122 °F; 50 °C
• 密度: 1.007 g/mL at 25 °C(lit.)
• 折射率: n20/D 1.564(lit.)

安全信息

• 联合国危险货物编号: 1993
• 德国WGK号: 3
• 联合国危险货物等级: 3
• 联合国危险货物包装类别(PG): 3
• 危险公开号: 10
• 安全公开号: 16
• GHS危险品标识: GHS02
• GHS警示词: Warning
• GHS危险声明: H226
• 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 1993 3/PG 3

产品相关信息

• 纯度: 97%
• Empirical Formula (Hill Notation): C14H22FeSi2

详细说明

Sigma Aldrich - 540404

包装
1 mL in glass bottle
Application

• Catalytic co-initiator in free radical photopolymerization and free radical promoted cationic polymerization reactions1Reactant for:
• Hydrosilylataion and hydroboration reactions2
• Platinum/nickel catalyzed selective hydrosilylation of alkynes and alkenes3
• Iron-catalyzed dehydrogenative coupling reactions4
• Hydrosilylation and double silylation of carbonyl compounds5