λ2-iron(2+) ion 3-{bis[3,5-bis(trifluoromethyl)phenyl]phosphanyl}-4-[(1R)-1-(dicyclohexylphosphanyl)ethyl]cyclopenta-2,4-dien-1-ide cyclopenta-2,4-dien-1-ide

• ChemBase编号: 140808
• 分子式: C40H40F12FeP2
• 平均质量: 866.5189604
• 单一同位素质量: 866.17630068
• SMILES: C[C@H](C1=C[CH-]C=C1P(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)P(C1CCCCC1)C1CCCCC1.C1=C[CH-]C=C1.[Fe+2]
• Canonical SMILES: C1=CC=C[CH-]1.C[C@H](C1=C[CH-]C=C1P(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)P(C1CCCCC1)C1CCCCC1.[Fe+2]
• InChI: InChI=1S/C35H35F12P2.C5H5.Fe/c1-21(48(26-9-4-2-5-10-26)27-11-6-3-7-12-27)30-13-8-14-31(30)49(28-17-22(32(36,37)38)15-23(18-28)33(39,40)41)29-19-24(34(42,43)44)16-25(20-29)35(45,46)47;1-2-4-5-3-1;/h8,13-21,26-27H,2-7,9-12H2,1H3;1-5H;/q2*-1;+2/t21-;;/m1../s1
• InChIKey: UWKYPPYXBQYIGL-GHVWMZMZSA-N

名称和登记号

名称

• IUPAC标准名: λ^2-iron(2+) ion 3-{bis[3,5-bis(trifluoromethyl)phenyl]phosphanyl}-4-[(1R)-1-(dicyclohexylphosphanyl)ethyl]cyclopenta-2,4-dien-1-ide cyclopenta-2,4-dien-1-ide
• IUPAC传统名: λ^2-iron(2+) ion 3-{bis[3,5-bis(trifluoromethyl)phenyl]phosphanyl}-4-[(1R)-1-(dicyclohexylphosphanyl)ethyl]cyclopenta-2,4-dien-1-ide cyclopentadienide
• 别名: (1R)-1-[双[3,5-双(三氟甲基)苯基]膦基]-2-[(1R)-1-(二环己基膦基)乙基]二茂铁（符合 CAS 标准）; (R)-1-{(SP)-2-[双[3,5-双(三氟甲基)苯基]膦基]二茂铁基}乙基二环己基膦; Josiphos SL-J006-1; (1R)-1-[Bis[3,5-bis(trifluoromethyl)phenyl]phosphino]-2-[(1R)-1-(dicyclohexylphosphino)ethyl]ferrocene (acc to CAS); (R)-1-{(SP)-2-[Bis[3,5-bis(trifluoromethyl)phenyl]phosphino]ferrocenyl}ethyldicyclohexylphosphine

登记号

• CAS号: 292638-88-1
• MDL号: MFCD08561149
• PubChem SID: 162235048; 24888995
• PubChem CID: 71310525

理论计算性质

• Acid pKa: 12.947323
• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 10.369232
• LogD (pH = 7.4): 10.371745
• Log P: 12.5673
• 摩尔折射率: 173.1291 cm^3
• 极化性: 62.200558 Å^3
• 极化表面积: 0.0 Å^2
• 可自由旋转的化学键: 11
• 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): C40H40F12FeP2

详细说明

Sigma Aldrich - 88727

General description
与 Sovias AG 联合销售
包装
1, 5 g in glass bottle
100, 500 mg in glass bottle