bis(chlororhodium); tetrakis(cyclooctene)

• ChemBase编号: 149681
• 分子式: C32H56Cl2Rh2
• 平均质量: 717.50404
• 单一同位素质量: 716.18691515
• SMILES: C1CCC=CCCC1.C1CCC=CCCC1.C1CCC=CCCC1.C1CCC=CCCC1.Cl[Rh].Cl[Rh]
• Canonical SMILES: C1CCCC=CCC1.C1CCCC=CCC1.C1CCCC=CCC1.C1CCCC=CCC1.[Rh]Cl.[Rh]Cl
• InChI: InChI=1S/4C8H14.2ClH.2Rh/c4*1-2-4-6-8-7-5-3-1;;;;/h4*1-2H,3-8H2;2*1H;;/q;;;;;;2*+1/p-2
• InChIKey: GQPAPAIPOLEZHT-UHFFFAOYSA-L

名称和登记号

名称

• IUPAC标准名: bis(chlororhodium); tetrakis(cyclooctene)
• IUPAC传统名: bis(chlororhodium); tetrakis(cyclooctene)
• 别名: 双环辛烯氯化铑二聚体; [Rh(coe)2Cl]2; Chlorobis(cyclooctene)rhodium(I),dimer

登记号

• CAS号: 12279-09-3
• MDL号: MFCD00013287
• PubChem SID: 24858255

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 3.1946278
• LogD (pH = 7.4): 3.1946278
• Log P: 3.1946278
• 摩尔折射率: 37.9246 cm^3
• 极化性: 14.547113 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: false

分子性质

理化性质

• 熔点: 190 °C (dec.)(lit.)

安全信息

• 欧盟危险性物质标志: 有害性(Harmful) (Xn)
• 德国WGK号: 3
• 危险公开号: 20/21/22-36/37/38
• 安全公开号: 26-37/39
• GHS危险品标识: GHS07
• GHS警示词: Warning
• GHS危险声明: H302-H312-H315-H319-H332-H335
• GHS警示性声明: P261-P280-P305 + P351 + P338
• 个人保护装置: dust mask type N95 (US), Eyeshields, Gloves

产品相关信息

• 纯度: 98%
• Empirical Formula (Hill Notation): C32H56Cl2Rh2

详细说明

Sigma Aldrich - 302473

Application
Precusor for rhodium(I) and used as a precatalyst in a variety of reactions including aryl- and vinyl-C-H bond activation, hydroiminoacylation, cycloisomerization, and C-C bond activation
包装
1 g in glass bottle
250 mg in glass bottle