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

• ChemBase编号: 140713
• 分子式: C46H44FeP2
• 平均质量: 714.634082
• 单一同位素质量: 714.22676217
• SMILES: Cc1cc(cc(c1)P(c1cc(cc(c1)C)C)[C@@H](C)C1=C[CH-]C=C1c1ccccc1P(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=C1c1ccccc1P(c1ccccc1)c1ccccc1)C)c1cc(C)cc(c1)C.[Fe+2]
• InChI: InChI=1S/C41H39P2.C5H5.Fe/c1-29-23-30(2)26-36(25-29)42(37-27-31(3)24-32(4)28-37)33(5)38-20-14-21-39(38)40-19-12-13-22-41(40)43(34-15-8-6-9-16-34)35-17-10-7-11-18-35;1-2-4-5-3-1;/h6-28,33H,1-5H3;1-5H;/q2*-1;+2/t33-;;/m0../s1
• InChIKey: CGPSMBVEMDTSCZ-NYPSMHOZSA-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-[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-[(1S)-1-[bis(3,5-dimethylphenyl)phosphanyl]ethyl]-4-[2-(diphenylphosphanyl)phenyl]cyclopenta-2,4-dien-1-ide cyclopentadienide
• 别名: (1R)-1-[(1S)-1-[双(3,5-二甲基苯基)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(3,5-二甲苯基)膦; Walphos SL-W006-2; (1R)-1-[(1S)-1-[Bis(3,5-dimethylphenyl)phosphino]ethyl]-2-[2-(diphenylphosphino)phenyl]ferrocene (acc to CAS); (S)-1-{(SP)-2-[2-(Diphenylphosphino)phenyl]ferrocenyl}ethyldi(3,5-xylyl)phosphine

登记号

• CAS号: 849925-21-9
• MDL号: MFCD08561126
• PubChem SID: 162234953; 24884235
• PubChem CID: 71310497

理论计算性质

• Acid pKa: 11.52562
• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 11.5384
• LogD (pH = 7.4): 11.538367
• Log P: 12.5367
• 摩尔折射率: 187.3504 cm^3
• 极化性: 74.509705 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): C46H44FeP2

详细说明

Sigma Aldrich - 65680

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