λ1-rhodium(1+) ion bicyclo[2.2.1]hepta-2,5-diene tris(dimethyl(phenyl)phosphane) hexafluoro-λ5-phosphanuide

• ChemBase编号: 150331
• 分子式: C31H41F6P4Rh
• 平均质量: 754.4482032
• 单一同位素质量: 754.11179615
• SMILES: CP(C)c1ccccc1.CP(C)c1ccccc1.CP(C)c1ccccc1.C1C2C=CC1C=C2.F[P-](F)(F)(F)(F)F.[Rh+]
• Canonical SMILES: C1=CC2CC1C=C2.F[P-](F)(F)(F)(F)F.CP(c1ccccc1)C.CP(c1ccccc1)C.CP(c1ccccc1)C.[Rh+]
• InChI: InChI=1S/3C8H11P.C7H8.F6P.Rh/c3*1-9(2)8-6-4-3-5-7-8;1-2-7-4-3-6(1)5-7;1-7(2,3,4,5)6;/h3*3-7H,1-2H3;1-4,6-7H,5H2;;/q;;;;-1;+1
• InChIKey: KSBHDOZWEREXLG-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: λ^1-rhodium(1+) ion bicyclo[2.2.1]hepta-2,5-diene tris(dimethyl(phenyl)phosphane) hexafluoro-λ^5-phosphanuide
• IUPAC传统名: λ^1-rhodium(1+) ion tris(dimethylphenylphosphine) norbornadiene hexafluorophosphate
• 别名: [三(二甲基苯基膦)](2,5-降冰片二烯)六氟磷酸铑(I); [(2,3-η)-Bicyclo[2.2.1]hepta-2,5-diene]tris(dimethylphenylphosphine)rhodium(I) hexafluorophosphate; [Tris(dimethylphenylphosphine)](2,5-norbornadiene)rhodium(I) hexafluorophosphate

登记号

• CAS号: 32761-50-5
• MDL号: MFCD02091681
• PubChem SID: 162244492; 24860485
• PubChem CID: 16212149

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 2.194198
• LogD (pH = 7.4): 2.3848538
• Log P: 2.3882
• 摩尔折射率: 41.7725 cm^3
• 极化性: 16.763628 Å^3
• 极化表面积: 0.0 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: false

分子性质

理化性质

• 熔点: 158-161 °C(lit.)

安全信息

• 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: 26-37/39
• 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
• 个人保护装置: dust mask type N95 (US), Eyeshields, Gloves

产品相关信息

• 纯度: 97%
• Empirical Formula (Hill Notation): C31H41F6P4Rh

详细说明

Sigma Aldrich - 337501

包装
100 mg in glass bottle
Application
Catalyst for aminomethylation1