λ1-thallanylium cyclopenta-2,4-dien-1-ide

• ChemBase编号: 126812
• 分子式: C5H5Tl
• 平均质量: 269.4765
• 单一同位素质量: 270.01355216
• SMILES: [CH-]1C=CC=C1.[Tl+]
• Canonical SMILES: [CH-]1C=CC=C1.[Tl+]
• InChI: InChI=1S/C5H5.Tl/c1-2-4-5-3-1;/h1-5H;/q-1;+1
• InChIKey: CVEQRUADOXXBRI-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: λ^1-thallanylium cyclopenta-2,4-dien-1-ide
• IUPAC传统名: λ^1-thallanylium cyclopentadienide
• 别名: 环戊二烯铊(I); Thallium cyclopentadienide; (η5-Cyclopentadienyl)thallium; Cyclopentadienylthallium; Cyclopentadienylthallium; NSC 114719; Thallous cyclopentadienide; Thallium(I) cyclopentadienide

登记号

• CAS号: 34822-90-7
• EC号: 252-229-2
• MDL号: MFCD00134141
• PubChem SID: 24849520; 162221139
• PubChem CID: 15256698
• Chemspider ID: 24721800
• 维基百科标题: Cyclopentadienylthallium

理论计算性质

• Acid pKa: 16.226988
• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 1.499
• LogD (pH = 7.4): 1.499
• Log P: 2.248
• 摩尔折射率: 21.715 cm^3
• 极化性: 8.791516 Å^3
• 极化表面积: 0.0 Å^2
• 可自由旋转的化学键: 0
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: Insoluble in water
• 外观: Light yellow solid
• 熔点: 300 °C(lit.); 300°C

安全信息

• 欧盟危险性物质标志: 环境危害性(Nature polluting) (N); 剧毒(Highly toxic) (T+)
• 联合国危险货物编号: 1707
• 德国WGK号: 3
• 联合国危险货物等级: 6.1
• 联合国危险货物包装类别(PG): 2
• 危险公开号: 26/28-33-51/53; R26/28, R33, R36/37/38
• 安全公开号: 13-28-45-61; S13, S28, S45
• GHS危险品标识: GHS06; GHS08; GHS09
• GHS警示词: Danger
• NFPA704:
  

  0

  3

  0
• GHS危险声明: H300-H330-H373-H411
• GHS警示性声明: P260-P264-P273-P284-P301 + P310-P310
• 个人保护装置: dust mask type N95 (US), Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges
• RID/ADR: UN 1707 6.1/PG 2
• 保存温度: 2-8°C

产品相关信息

• 纯度: 97%
• 级别: technical grade
• Empirical Formula (Hill Notation): C5H5Tl

详细说明

Sigma Aldrich - 337870

Application
Reagent in preparation of
• η5-Cyclopentadienylpalladium(II) complexes as catalysts for vinyl addition polymerization and copolymerization reactions1
• Versatile carbon ligands via oxidative cyclization2
• Isomeric dinuclear dicyclopentadienyl Ti chloride complexes containing bridging cyclopentadienylsiloxo ligands with Me Li and Lewis acids3
• Bromide complexes of the triple-decker type4
• Naphthylazo cyclopalladates via regiospecific naphthyl carbon-hydrogen bond activation5Reactant fro:
• Selective reduction of the U3+ metallocene amidinate6

Sigma Aldrich - 155349

包装
10, 50 g in glass bottle
Application
Reagent in preparation of
• η5-Cyclopentadienylpalladium(II) complexes as catalysts for vinyl addition polymerization and copolymerization reactions1
• Versatile carbon ligands via oxidative cyclization2
• Isomeric dinuclear dicyclopentadienyl Ti chloride complexes containing bridging cyclopentadienylsiloxo ligands with Me Li and Lewis acids3
• Bromide complexes of the triple-decker type4
• Naphthylazo cyclopalladates via regiospecific naphthyl carbon-hydrogen bond activation5Reactant fro:
• Selective reduction of the U3+ metallocene amidinate6