λ2-iron(2+) ion 3-[(1R)-1-(diphenylphosphanyl)ethyl]-4-[2-(diphenylphosphanyl)phenyl]cyclopenta-2,4-dien-1-ide cyclopenta-2,4-dien-1-ide

• ChemBase编号: 140754
• 分子式: C42H36FeP2
• 平均质量: 658.527762
• 单一同位素质量: 658.16416191
• SMILES: C[C@H](C1=C[CH-]C=C1c1ccccc1P(c1ccccc1)c1ccccc1)P(c1ccccc1)c1ccccc1.C1=C[CH-]C=C1.[Fe+2]
• Canonical SMILES: [CH-]1C=CC=C1.C[C@H](C1=C[CH-]C=C1c1ccccc1P(c1ccccc1)c1ccccc1)P(c1ccccc1)c1ccccc1.[Fe+2]
• InChI: InChI=1S/C37H31P2.C5H5.Fe/c1-29(38(30-17-6-2-7-18-30)31-19-8-3-9-20-31)34-26-16-27-35(34)36-25-14-15-28-37(36)39(32-21-10-4-11-22-32)33-23-12-5-13-24-33;1-2-4-5-3-1;/h2-29H,1H3;1-5H;/q2*-1;+2/t29-;;/m1../s1
• InChIKey: OISZUQLTHODEJJ-SYXKTQFYSA-N

名称和登记号

名称

• IUPAC标准名: λ^2-iron(2+) ion 3-[(1R)-1-(diphenylphosphanyl)ethyl]-4-[2-(diphenylphosphanyl)phenyl]cyclopenta-2,4-dien-1-ide cyclopenta-2,4-dien-1-ide
• IUPAC传统名: λ^2-iron(2+) ion 3-[(1R)-1-(diphenylphosphanyl)ethyl]-4-[2-(diphenylphosphanyl)phenyl]cyclopenta-2,4-dien-1-ide cyclopentadienide
• 别名: (1R)-1-[(1S)-1-(二苯基膦)乙基]-2-[2-(二苯基膦)苯基]二茂铁（符合 CAS 标准）; (S)-1-{(SP)-2-[2-(二苯基膦)苯基]二茂铁基}乙基二苯基膦; Walphos SL-W002-2; (1R)-1-[(1S)-1-(Diphenylphosphino)ethyl]-2-[2-(diphenylphosphino)phenyl]ferrocene (acc to CAS); (S)-1-{(SP)-2-[2-(Diphenylphosphino)phenyl]ferrocenyl}ethyldiphenylphosphine

登记号

• CAS号: 565184-37-4
• MDL号: MFCD06658129
• PubChem SID: 24884225; 162234994
• PubChem CID: 71310513

理论计算性质

• Acid pKa: 11.52562
• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 9.6696
• LogD (pH = 7.4): 9.669567
• Log P: 10.6679
• 摩尔折射率: 167.1856 cm^3
• 极化性: 67.45481 Å^3
• 极化表面积: 0.0 Å^2
• 可自由旋转的化学键: 8
• 里宾斯基五规则: false

分子性质

安全信息

• 德国WGK号: 3
• 个人保护装置: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

产品相关信息

• 纯度: ≥97%
• 光学纯度: ee: ≥99%
• Empirical Formula (Hill Notation): C42H36FeP2

详细说明

Sigma Aldrich - 65674

General description
与 Solvias AG 合作销售
包装
1, 5 g in glass bottle
100, 500 mg in glass bottle