chlororutheniumylium; cycloocta-1,5-diene; pentamethylcyclopenta-2,4-dien-1-ide

• ChemBase编号: 141444
• 分子式: C18H27ClRu
• 平均质量: 379.92998
• 单一同位素质量: 380.08447754
• SMILES: C1C=CCCC=CC1.Cl[Ru+].CC1=C([C-](C(=C1C)C)C)C
• Canonical SMILES: C1CC=CCCC=C1.C[C-]1C(=C(C(=C1C)C)C)C.[Ru+]Cl
• InChI: InChI=1S/C10H15.C8H12.ClH.Ru/c1-6-7(2)9(4)10(5)8(6)3;1-2-4-6-8-7-5-3-1;;/h1-5H3;1-2,7-8H,3-6H2;1H;/q-1;;;+2/p-1
• InChIKey: PYZSVABUSHLGGV-UHFFFAOYSA-M

名称和登记号

名称

• IUPAC标准名: chlororutheniumylium; cycloocta-1,5-diene; pentamethylcyclopenta-2,4-dien-1-ide
• IUPAC传统名: 1,5-cyclooctadiene; chlororutheniumylium; pentamethylcyclopenta-2,4-dien-1-ide
• 别名: 氯(五甲基环戊二烯基)(环辛二烯)钌(II); Pentamethylcyclopentadienyl(1,5-cyclooctadiene)ruthenium(II) chloride; RuCl(cod)Cp*; Chloro(1,5-cyclooctadiene)(pentamethylcyclopentadienyl)ruthenium(II); 1,5-Cyclooctadiene, ruthenium complex; Chloro(1,5-cyclooctadiene)(η5-pentamethylcyclopentadienyl)ruthenium; Chloro(1,5-cyclooctadiene)(pentamethylcyclopentadienyl)ruthenium; Cp*RuCl(cod); Chloro(pentamethylcyclopentadienyl)(cyclooctadiene)ruthenium(II)

登记号

• CAS号: 92390-26-6
• MDL号: MFCD07369035
• PubChem SID: 24884896; 162235678
• PubChem CID: 71310632

理论计算性质

• Acid pKa: 16.574366
• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 2.7594643
• LogD (pH = 7.4): 2.7594643
• Log P: 4.3233
• 摩尔折射率: 46.921 cm^3
• 极化性: 17.660542 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 solid
• 熔点: 143-147 °C; 143-147°C

安全信息

• 欧盟危险性物质标志: 易燃性(Flammable) (F)
• 联合国危险货物编号: 3395; UN3395
• 德国WGK号: 3
• 联合国危险货物等级: 4.3
• 联合国危险货物包装类别(PG): 2; II
• 危险公开号: 14/15; 15
• 安全公开号: 43; 7/8-33-43-60
• TSCA收录: 否
• GHS危险品标识: GHS02
• GHS警示词: Danger
• GHS危险声明: H260; H261
• GHS警示性声明: P231 + P232-P422; P231+P232-P280-P233-P370+P378-P402+P404-P501
• 个人保护装置: Eyeshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges
• RID/ADR: UN 3395 4.3/PG 2
• 保存温度: -20°C

产品相关信息

• 纯度: Ru 26.6%
• Empirical Formula (Hill Notation): C18H27ClRu

详细说明

Sigma Aldrich - 667234

Application
A homogeneous catalyst for the formation of carbon-carbon and carbon-heteroatom bonds.
包装
1 g in glass bottle
250 mg in glass bottle