iridium(1+) ion cycloocta-1,5-diene hexafluoro-λ5-phosphanuide bis(methyldiphenylphosphane)

• ChemBase编号: 150808
• 分子式: C34H38F6IrP3
• 平均质量: 845.7942222
• 单一同位素质量: 846.17198143
• SMILES: CP(c1ccccc1)c1ccccc1.CP(c1ccccc1)c1ccccc1.C1C=CCCC=CC1.F[P-](F)(F)(F)(F)F.[Ir+]
• Canonical SMILES: C1CC=CCCC=C1.F[P-](F)(F)(F)(F)F.CP(c1ccccc1)c1ccccc1.CP(c1ccccc1)c1ccccc1.[Ir+]
• InChI: InChI=1S/2C13H13P.C8H12.F6P.Ir/c2*1-14(12-8-4-2-5-9-12)13-10-6-3-7-11-13;1-2-4-6-8-7-5-3-1;1-7(2,3,4,5)6;/h2*2-11H,1H3;1-2,7-8H,3-6H2;;/q;;;-1;+1
• InChIKey: LXKHQEQLBSJJCO-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: iridium(1+) ion cycloocta-1,5-diene hexafluoro-λ^5-phosphanuide bis(methyldiphenylphosphane); iridium(1+) ion (1Z,5Z)-cycloocta-1,5-diene hexafluoro-λ^5-phosphanuide bis(methyldiphenylphosphane)
• IUPAC传统名: iridium(1+) ion 1,5-cyclooctadiene bis(methyldiphenylphosphane) hexafluorophosphate; iridium(1+) ion 1,5-cyclooctadiene, (Z,Z)- bis(methyldiphenylphosphane) hexafluorophosphate
• 别名: 1,5-环辛二烯双(甲基联苯基磷化氢)铱六氟磷酸盐; 1,5-环辛二烯双(甲基联苯基磷化氢)铱(I)六氟磷酸盐; (1,5-Cyclooctadiene)bis(methyldiphenylphosphine)iridium(I) hexafluorophosphate; 1,5-Cyclooctadienebis(methyldiphenylphosphine)iridium(I) hexafluorophosphate

登记号

• CAS号: 38465-86-0
• MDL号: MFCD00064800
• PubChem SID: 162244968; 24860482
• PubChem CID: 5702663

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 3.7474
• LogD (pH = 7.4): 3.7474
• Log P: 3.7474
• 摩尔折射率: 61.6977 cm^3
• 极化性: 24.55536 Å^3
• 极化表面积: 0.0 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: false

分子性质

理化性质

• 溶解度: Soluble in acetone
• 外观: Crystalline
• 熔点: 224 °C (dec.)(lit.); 224°C dec.

安全信息

• 保存注意事项: Air & Moisture Sensitive
• 欧盟危险性物质标志: 刺激性(Irritant) (Xi); 有害性(Harmful) (Xn)
• 德国WGK号: 3
• 危险公开号: 20/21/22-36/37/38; 36/38
• 安全公开号: 26-36; 26-37
• TSCA收录: 否
• GHS危险品标识: GHS07
• GHS警示词: Warning
• GHS危险声明: H302-H312-H315-H319-H332-H335; H315-H319
• GHS警示性声明: P261-P280-P305 + P351 + P338; P280-P305+P351+P338-P302+P352-P321-P362-P332+P313
• 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): C34H38F6IrP3

详细说明

Sigma Aldrich - 337455

Application
Catalyst for isomerization of allylic alcohols and ethers; hydrogenation.
包装
50, 500 mg in glass bottle