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

• ChemBase编号: 139678
• 分子式: C44H36F12FeP2
• 平均质量: 910.5300004
• 单一同位素质量: 910.14500055
• SMILES: Cc1cc(cc(c1)P(c1cc(cc(c1)C)C)[C@@H](C)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)C.C1=C[CH-]C=C1.[Fe+2]
• Canonical SMILES: C1=CC=C[CH-]1.Cc1cc(C)cc(c1)P([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)C)c1cc(C)cc(c1)C.[Fe+2]
• InChI: InChI=1S/C39H31F12P2.C5H5.Fe/c1-21-9-22(2)12-30(11-21)52(31-13-23(3)10-24(4)14-31)25(5)34-7-6-8-35(34)53(32-17-26(36(40,41)42)15-27(18-32)37(43,44)45)33-19-28(38(46,47)48)16-29(20-33)39(49,50)51;1-2-4-5-3-1;/h6-20,25H,1-5H3;1-5H;/q2*-1;+2/t25-;;/m0../s1
• InChIKey: OJJUNRXMQFVYEO-WLOLSGMKSA-N

名称和登记号

名称

• IUPAC标准名: λ^2-iron(2+) ion 3-[(1S)-1-[bis(3,5-dimethylphenyl)phosphanyl]ethyl]-4-{bis[3,5-bis(trifluoromethyl)phenyl]phosphanyl}cyclopenta-2,4-dien-1-ide cyclopenta-2,4-dien-1-ide
• IUPAC传统名: λ^2-iron(2+) ion 3-[(1S)-1-[bis(3,5-dimethylphenyl)phosphanyl]ethyl]-4-{bis[3,5-bis(trifluoromethyl)phenyl]phosphanyl}cyclopenta-2,4-dien-1-ide cyclopentadienide
• 别名: (1S)-1-[双[3,5-双(三氟甲基)苯基]膦基]-2-[(1S)-1-[双(3,5-二甲苯基)膦基]乙基]二茂铁（符合 CAS 标准）; (S)-1-{(RP)-2-[双[3,5-双(三氟甲基)苯基]膦基]二茂铁基}乙基二(3,5-二甲苯基)膦; Josiphos SL-J008-2; (1S)-1-[Bis[3,5-bis(trifluoromethyl)phenyl]phosphino]-2-[(1S)-1-[bis(3,5-dimethylphenyl)phosphino]ethyl]ferrocene (acc to CAS); (S)-1-{(RP)-2-[Bis[3,5-bis(trifluoromethyl)phenyl]phosphino]ferrocenyl}ethyldi(3,5-xylyl)phosphine

登记号

• MDL号: MFCD08561154
• PubChem SID: 24889120; 162233926
• PubChem CID: 71310278

理论计算性质

• 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
• Acid pKa: 12.943095
• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 12.5422
• LogD (pH = 7.4): 12.542199
• Log P: 14.3835
• 摩尔折射率: 186.109 cm^3
• 极化性: 67.60096 Å^3

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): C44H36F12FeP2

详细说明

Sigma Aldrich - 88732

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