dichlororuthenium; ethenylbenzene; bis(tricyclohexylphosphane)

• ChemBase编号: 139401
• 分子式: C44H74Cl2P2Ru
• 平均质量: 836.981882
• 单一同位素质量: 836.36862999
• SMILES: C=Cc1ccccc1.C1CCC(CC1)P(C1CCCCC1)C1CCCCC1.C1CCC(CC1)P(C1CCCCC1)C1CCCCC1.Cl[Ru]Cl
• Canonical SMILES: C1CCC(CC1)P(C1CCCCC1)C1CCCCC1.C1CCC(CC1)P(C1CCCCC1)C1CCCCC1.C=Cc1ccccc1.Cl[Ru]Cl
• InChI: InChI=1S/2C18H33P.C8H8.2ClH.Ru/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2-8-6-4-3-5-7-8;;;/h2*16-18H,1-15H2;2-7H,1H2;2*1H;/q;;;;;+2/p-2
• InChIKey: IEEOQDKBWLBRKR-UHFFFAOYSA-L

名称和登记号

名称

• IUPAC标准名: dichlororuthenium; ethenylbenzene; bis(tricyclohexylphosphane)
• IUPAC传统名: dichlororuthenium; styrene; bis(tricyclohexylphosphine)
• 别名: 二(三环己基膦)亚苄基二氯化钌; 苯基亚甲基双(三环己基膦)二氯化钌; Grubbs 1 代催化剂; Benzylidene-bis(tricyclohexylphosphine)dichlororuthenium; Bis(tricyclohexylphosphine)benzylidine ruthenium(IV) dichloride; Grubbs Catalyst, 1st Generation

登记号

• CAS号: 172222-30-9
• MDL号: MFCD01090946
• PubChem SID: 24881009; 162233649
• PubChem CID: 71310248

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 4.93183
• LogD (pH = 7.4): 4.931908
• Log P: 5.1701
• 摩尔折射率: 89.9952 cm^3
• 极化性: 34.44912 Å^3
• 极化表面积: 0.0 Å^2
• 可自由旋转的化学键: 7
• 里宾斯基五规则: false

分子性质

理化性质

• 熔点: 153 °C (dec.)(lit.)

安全信息

• 欧盟危险性物质标志: 易燃性(Flammable) (F); 刺激性(Irritant) (Xi)
• 德国WGK号: 3
• 危险公开号: 11-36/37/38; 36/37/38
• 安全公开号: 26-36
• GHS危险品标识: GHS02; GHS07
• GHS警示词: Warning
• GHS危险声明: H228-H315-H319-H335
• GHS警示性声明: P210-P261-P305 + P351 + P338
• 个人保护装置: dust mask type N95 (US), Eyeshields, Gloves
• 保存温度: 2-8°C

产品相关信息

• 纯度: ≥97.0% (C); 97%
• 级别: catalyst grade (for olefin metathesis); purum
• Empirical Formula (Hill Notation): C43H72Cl2P2Ru

详细说明

Sigma Aldrich - 579726

Other Notes
不接受批量订单
包装
1, 5 g in glass bottle
Legal Information
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Application
Metathesis: Ruthenium-Based Metathesis CatalystsHydrosilylation Catalysts
Grubbs 1st Generation Catalyst
• First metathesis catalyst to be widely used in organic synthesis.
• Useful in Ring-Opening Metathesis Polymerization (ROMP) of strained cyclic olefins, in Olefin cross metathesis (CM) and Ring closing metathesis (RCM) of terminal olefins under a variety of reactions conditions, and ethenolysis of internal olefins.

Sigma Aldrich - 09587

Other Notes
用于各种复分解反应的高效催化剂1,2,3
Application
Metathesis: Ruthenium-Based Metathesis CatalystsHydrosilylation Catalysts