bis(cyclopenta-2,4-dien-1-ide); dichlorovanadiumbis(ylium)

• ChemBase编号: 139137
• 分子式: C10H10Cl2V
• 平均质量: 252.0339
• 单一同位素质量: 250.95991518
• SMILES: C1=C[CH-]C=C1.C1=C[CH-]C=C1.Cl[V+2]Cl
• Canonical SMILES: [CH-]1C=CC=C1.[CH-]1C=CC=C1.Cl[V+2]Cl
• InChI: InChI=1S/2C5H5.2ClH.V/c2*1-2-4-5-3-1;;;/h2*1-5H;2*1H;/q2*-1;;;+4/p-2
• InChIKey: CFTPQBADCNYKCN-UHFFFAOYSA-L

名称和登记号

名称

• IUPAC标准名: bis(cyclopenta-2,4-dien-1-ide); dichlorovanadiumbis(ylium)
• IUPAC传统名: bis(cyclopentadienide); dichlorovanadiumbis(ylium)
• 别名: 双(环戊二烯基)氯化钒(III); 双(环戊二烯基)二氯化钒(IV); Bis(cyclopentadienyl)vanadium(III) chloride; Di-π-Cyclopentadienylvanadium dichloride; Dichlorobis(cyclopentadienyl)vanadium; Dichlorovanadocene; Vanadocene dichloride; Bis(cyclopentadienyl)vanadium(IV) dichloride

登记号

• CAS号: 12701-79-0; 12083-48-6
• EC号: 235-150-8
• MDL号: MFCD00014260
• PubChem SID: 24880321; 24860247

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

• 熔点: 182-194 °C (dec.)(lit.)

安全信息

• RTECS编号: YW1580000
• 欧盟危险性物质标志: 有毒(Toxic) (T)
• 联合国危险货物编号: 3285
• 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): 3
• 危险公开号: 25-36/37/38
• 安全公开号: 26-28-36/37/39-45
• GHS危险品标识: GHS06
• GHS警示词: Danger
• GHS危险声明: H301-H315-H319-H335
• GHS警示性声明: P261-P301 + P310-P305 + P351 + P338
• 个人保护装置: Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges
• RID/ADR: UN 3285 6.1/PG 3
• 保存温度: 2-8°C

产品相关信息

• 纯度: 95%; 97%
• 线性分子式: (C5H5)2VCl
• Empirical Formula (Hill Notation): C10H10Cl2V

详细说明

Sigma Aldrich - 334642

包装
1, 5 g in glass bottle
Application
Uses:
• Potential pharmacological compound for cancer treatment1
• Catalyst for solvent free, room temperature preparation of vicinal aminoalcohols as fungistatic agents2
• Catalyst fot oligomerization reactions via the Aufbau propagation reaction3
• Catalyst for aqueous polymerization reactions using oxygen as a cocatalyst4
• Catalyst for dl-selective pinacol-type coupling reactions5
• Affector of crystal growth of calcium carbonate6
• Inhibitor of human topoisomerase II enzyme with antitumor activity7