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

• ChemBase编号: 139681
• 分子式: C40H40FeP2
• 平均质量: 638.538122
• 单一同位素质量: 638.19546204
• SMILES: Cc1cc(cc(c1)P(c1cc(cc(c1)C)C)[C@@H](C)C1=C[CH-]C=C1P(c1ccccc1)c1ccccc1)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(c1ccccc1)c1ccccc1)C)c1cc(C)cc(c1)C.[Fe+2]
• InChI: InChI=1S/C35H35P2.C5H5.Fe/c1-25-19-26(2)22-32(21-25)36(33-23-27(3)20-28(4)24-33)29(5)34-17-12-18-35(34)37(30-13-8-6-9-14-30)31-15-10-7-11-16-31;1-2-4-5-3-1;/h6-24,29H,1-5H3;1-5H;/q2*-1;+2/t29-;;/m0../s1
• InChIKey: WXUUGQBFQWHYJL-UJXPALLWSA-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-(diphenylphosphanyl)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-(diphenylphosphanyl)cyclopenta-2,4-dien-1-ide cyclopentadienide
• 别名: (2S)-1-[(1S)-1-[双(3,5-二甲基苯基)膦]乙基]-2-(二苯基膦)二茂铁（符合 CAS 标准）; (S)-1-[(RP)-2-(二苯基膦)二茂铁基]乙基二(3,5-二甲苯基)膦; Josiphos SL-J005-2; (2S)-1-[(1S)-1-[Bis(3,5-dimethylphenyl)phosphino]ethyl]-2-(diphenylphosphino)ferrocene (acc to CAS); (S)-1-[(RP)-2-(Diphenylphosphino)ferrocenyl]ethyldi(3,5-xylyl)phosphine

登记号

• CAS号: 223121-07-1
• MDL号: MFCD08561148
• PubChem SID: 162233929; 24888994
• PubChem CID: 71310284

理论计算性质

• Acid pKa: 12.945958
• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 9.011
• LogD (pH = 7.4): 9.010999
• Log P: 10.8523
• 摩尔折射率: 162.2142 cm^3
• 极化性: 63.43982 Å^3
• 极化表面积: 0.0 Å^2
• 可自由旋转的化学键: 7
• 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): C40H40FeP2

详细说明

Sigma Aldrich - 88726

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