iridium(1+) ion bis(cycloocta-1,5-diene) tetrafluoroboranuide

• ChemBase编号: 94688
• 分子式: C16H24BF4Ir
• 平均质量: 495.3833728
• 单一同位素质量: 496.15364505
• SMILES: [B-](F)(F)(F)F.[Ir+].C1=CCCC=CCC1.C1=CCCC=CCC1
• Canonical SMILES: C1CC=CCCC=C1.C1CC=CCCC=C1.F[B-](F)(F)F.[Ir+]
• InChI: InChI=1S/2C8H12.BF4.Ir/c2*1-2-4-6-8-7-5-3-1;2-1(3,4)5;/h2*1-2,7-8H,3-6H2;;/q;;-1;+1
• InChIKey: NKIQXDAGMKBVPE-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: iridium(1+) ion bis(cycloocta-1,5-diene) tetrafluoroboranuide; iridium(1+) ion bis((1Z,5Z)-cycloocta-1,5-diene) tetrafluoroboranuide
• IUPAC传统名: iridium(1+) ion bis(1,5-cyclooctadiene) tetrafluoroborate; iridium(1+) ion bis(1,5-cyclooctadiene, (Z,Z)-) tetrafluoroborate
• 别名: 双(1,5-环辛二烯)四氟硼酸铱(I); Bis(1,5-cyclooctadiene)iridium(I) tetrafluoroborate 99%; Bis(1,5-cyclooctadiene)iridium(I) tetrafluoroborate

登记号

• CAS号: 35138-23-9
• MDL号: MFCD00079664
• PubChem SID: 162081342
• PubChem CID: 5702646

理论计算性质

• 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: 0
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: Soluble in chloroform, methylene chloride
• 外观: Powder
• 熔点: 32-48 °C
• 闪点: >149 °C; >300.2 °F

安全信息

• 保存注意事项: Irritant
• 德国WGK号: 3
• TSCA收录: 否
• 个人保护装置: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
• 保存温度: -20°C

产品相关信息

• Empirical Formula (Hill Notation): C16H24BF4Ir

详细说明

Sigma Aldrich - 701637

包装
1 g in glass bottle
250 mg in glass bottle