λ1-rhodium(1+) ion bis((1Z,5Z)-cycloocta-1,5-diene) trifluoromethanesulfonate

• ChemBase编号: 94690
• 分子式: C17H24F3O3RhS
• 平均质量: 468.3363696
• 单一同位素质量: 468.04532929
• SMILES: [Rh+].S(=O)(=O)(C(F)(F)F)[O-].C1=CCCC=CCC1.C1=CCCC=CCC1
• Canonical SMILES: C1CC=CCCC=C1.C1CC=CCCC=C1.FC(S(=O)(=O)[O-])(F)F.[Rh+]
• InChI: InChI=1S/2C8H12.CHF3O3S.Rh/c2*1-2-4-6-8-7-5-3-1;2-1(3,4)8(5,6)7;/h2*1-2,7-8H,3-6H2;(H,5,6,7);/q;;;+1/p-1
• InChIKey: GOPBTCMAUMSOBX-UHFFFAOYSA-M

名称和登记号

名称

• IUPAC标准名: λ^1-rhodium(1+) ion bis((1Z,5Z)-cycloocta-1,5-diene) trifluoromethanesulfonate; rhodium(1+) ion bis(cycloocta-1,5-diene) trifluoromethanesulfonate; λ^1-rhodium(1+) ion bis(cycloocta-1,5-diene) trifluoromethanesulfonate
• IUPAC传统名: λ^1-rhodium(1+) ion bis(1,5-cyclooctadiene, (Z,Z)-) triflate; rhodium(1+) ion bis(1,5-cyclooctadiene) triflate; λ^1-rhodium(1+) ion bis(1,5-cyclooctadiene) triflate
• 别名: 双(1,5-环辛二烯)三氟甲磺酸铑(I); Bis(1,5-cyclooctadiene)rhodium(I)trifluoromethanesulfonate; Bis(1,5-cyclooctadiene)rhodium(I) triflate; Bis(1,5-cyclooctadiene)rhodium(I) trifluoromethane sulphonate 98+%; Bis(1,5-cyclooctadiene)rhodium triflate; Bis(1,5-cyclooctadiene)rhodium(I) trifluoromethanesulfonate

登记号

• CAS号: 99326-34-8
• MDL号: MFCD00143752
• PubChem SID: 24877779; 162081344
• PubChem CID: 5702638

理论计算性质

• Acid pKa: -3.4301212
• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 2.832706
• LogD (pH = 7.4): 2.832706
• Log P: 2.832706
• 摩尔折射率: 39.0412 cm^3
• 极化性: 14.319889 Å^3
• 极化表面积: 0.0 Å^2
• 可自由旋转的化学键: 1
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: Soluble in chloroform
• 外观: Crystalline, Packaged under argon
• 熔点: 159 °C (dec. literature value)(lit.); 83-97 °C (dec. experimental value)

安全信息

• 保存注意事项: Air Sensitive; Irritant
• 欧盟危险性物质标志: 刺激性(Irritant) (Xi)
• 德国WGK号: 3
• 危险公开号: 36/37/38
• 安全公开号: 26; 26-37
• TSCA收录: 否
• GHS危险品标识: GHS07
• GHS警示词: Warning
• GHS危险声明: H315-H319-H335
• GHS警示性声明: P261-P305 + P351 + P338; P261-P305+P351+P338-P302+P352-P321-P405-P501A
• 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): C17H24F3O3RhS

详细说明

Sigma Aldrich - 530840

包装
1 g in glass bottle
Application
Umicore Precatalysts for Asymmetric and Cross-Coupling Catalysis

Sigma Aldrich - 683159

包装
2 g in glass bottle
500 mg in glass bottle
Legal Information
Umicore 产品
Application
Umicore Precatalysts for Asymmetric and Cross-Coupling Catalysis