cycloocta-1,5-diene; dichloroplatinum

• ChemBase编号: 126981
• 分子式: C8H12Cl2Pt
• 平均质量: 374.16488
• 单一同位素质量: 372.99639674
• SMILES: Cl[Pt]Cl.C1=CCCC=CCC1
• Canonical SMILES: C1CC=CCCC=C1.Cl[Pt]Cl
• InChI: InChI=1S/C8H12.2ClH.Pt/c1-2-4-6-8-7-5-3-1;;;/h1-2,7-8H,3-6H2;2*1H;/q;;;+2/p-2
• InChIKey: VVAOPCKKNIUEEU-UHFFFAOYSA-L

名称和登记号

名称

• IUPAC标准名: cycloocta-1,5-diene; dichloroplatinum; (1Z,5Z)-cycloocta-1,5-diene; dichloroplatinum
• IUPAC传统名: 1,5-cyclooctadiene; platinum(II) chloride; 1,5-cyclooctadiene, (Z,Z)-; platinum(II) chloride
• 别名: (1,5-环辛二烯)二氯化铂(II); Dichloro(cycloocta-1,5-diene)platinum(II); (1,5-Cyclooctadiene)platinum dichloride; (1,5-Cyclooctadiene)platinum(II) dichloride; 1,5-Cyclooctadienedichloroplatinum; NSC 239486; Pt(COD)Cl2; Dichloro(1,5-cyclooctadiene)platinum(II)

登记号

• CAS号: 12080-32-9
• EC号: 235-144-5
• MDL号: MFCD00012413
• PubChem SID: 162221304; 24854718
• PubChem CID: 5702648
• Chemspider ID: 4642949
• 维基百科标题: Dichloro(cycloocta-1,5-diene)platinum(II)

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 2.832706
• LogD (pH = 7.4): 2.832706
• Log P: 2.832706
• 摩尔折射率: 39.0412 cm^3
• 极化性: 14.319889 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: Soluble in dichloromethane
• 外观: Solid
• 熔点: 250°C dec.; 285 °C (dec.)(lit.); 285°C

安全信息

• 保存注意事项: Hygroscopic
• 欧盟危险性物质标志: 刺激性(Irritant) (Xi)
• 德国WGK号: 3
• 危险公开号: 36/37/38; R36/37/38
• 安全公开号: 26-37; 26-37/39; S26-S37/39
• TSCA收录: 是
• GHS危险品标识: GHS07
• GHS警示词: Warning
• GHS危险声明: H315-H319-H335
• GHS警示性声明: P261-P305 + P351 + P338; P261-P305+P351+P338-P302+P352-P321-P405-P501A
• 个人保护装置: dust mask type N95 (US), Eyeshields, Gloves

产品相关信息

• 纯度: Pt 51.6-52.6%
• Empirical Formula (Hill Notation): C8H12Cl2Pt

详细说明

Sigma Aldrich - 244937

包装
1 g in glass bottle
250 mg in glass bottle
Application
Catalyst for:
• Hydrogenative cyclization of allenynes1
• Stereoselective tandem hydrosilylation-Hiyama coupling reactions2
• Amino alkene cyclohydroamination3
• Hydrative cyclization reactions4
• Direct amination of allylic alcohols under mild conditions5
• Potential anticancer agent6