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

• ChemBase编号: 140752
• 分子式: C42H48FeP2
• 平均质量: 670.623042
• 单一同位素质量: 670.2580623
• 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/C37H43P2.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;/h4-5,10-16,21-31H,2-3,6-9,17-20H2,1H3;1-5H;/q2*-1;+2/t29-;;/m1../s1
• InChIKey: QZYUAAMKGHSXFS-SYXKTQFYSA-N

名称和登记号

名称

• IUPAC标准名: λ^2-iron(2+) ion 3-[(1R)-1-(dicyclohexylphosphanyl)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-(dicyclohexylphosphanyl)ethyl]-4-[2-(diphenylphosphanyl)phenyl]cyclopenta-2,4-dien-1-ide cyclopentadienide
• 别名: (1R)-1-[(1S)-1-(二环己基膦)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}乙基二环己基膦; Walphos SL-W003-2; (1R)-1-[(1S)-1-(Dicyclohexylphosphino)ethyl]-2-[2-(diphenylphosphino)phenyl]ferrocene (acc to CAS); (S)-1-{(SP)-2-[2-(Diphenylphosphino)phenyl]ferrocenyl}ethyldicyclohexylphosphine

登记号

• CAS号: 849925-19-5
• MDL号: MFCD04117711
• PubChem SID: 24884229; 162234992
• PubChem CID: 71310509

理论计算性质

• Acid pKa: 11.546732
• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 9.365418
• LogD (pH = 7.4): 9.366866
• Log P: 10.7205
• 摩尔折射率: 174.3705 cm^3
• 极化性: 68.827385 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): C42H48FeP2

详细说明

Sigma Aldrich - 65676

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