zinc(2+) ion bis(iminomethanide)

• ChemBase编号: 130243
• 分子式: C2N2Zn
• 平均质量: 117.4148
• 单一同位素质量: 115.93529001
• SMILES: [Zn+2].[C-]#N.[C-]#N
• Canonical SMILES: N#[C-].N#[C-].[Zn+2]
• InChI: InChI=1S/2CN.Zn/c2*1-2;/q2*-1;+2
• InChIKey: GTLDTDOJJJZVBW-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: zinc(2+) ion bis(iminomethanide)
• IUPAC传统名: zinc(2+) ion bis(cyanide)
• 别名: 氰化锌; Zinc cyanide; Zinc cyanide

登记号

• CAS号: 557-21-1
• EC号: 209-162-9
• MDL号: MFCD00011292
• Beilstein号: 4124366
• 默克索引号: 1410135
• PubChem SID: 162224523
• PubChem CID: 11186; 2734669
• Chemspider ID: 10713
• 维基百科标题: Zinc_cyanide

理论计算性质

• Acid pKa: 9.5
• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): -0.34610683
• LogD (pH = 7.4): -0.33904728
• Log P: -0.34619832
• 摩尔折射率: 15.8149 cm^3
• 极化性: 2.6105857 Å^3
• 极化表面积: 23.79 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: 0.00005 g/100 mL (20 °C) in water; attacked by alkalies, KCN, ammonia; Insoluble in water, alcohol. Soluble in solutions of alkali cyanides or hydroxides
• 外观: Crystalline; white powder
• 熔点: 800 °C (decomposes); 800°C dec.
• 密度: 1.852; 1.852 g/cm^3, solid

安全信息

• 保存注意事项: Hygroscopic
• RTECS编号: ZH1575000
• 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: UN1713
• 联合国危险货物等级: 6.1
• 联合国危险货物包装类别(PG): I
• 危险公开号: 26/27/28-32-50/53
• 安全公开号: 7-28-29-45-60-61
• TSCA收录: 是
• GHS危险品标识: GHS06; GHS09
• NFPA704:
  

  0

  4

  2
• 半数致死量: 100 mg/kg, rat (intraperitoneal)
• GHS危险声明: H300-H310-H330-H400-H410
• GHS警示性声明: P260-P301+P310-P304+P340-P320-P330-P361-P405-P501A

产品相关信息

• 纯度: 85%; 98%

参考文献

• For an example of the Adams modification of the Gattermann reaction for formylation of aromatics, see: Org. Synth. Coll., 3, 549 (1955). For in situ cyanosilylation of aldehydes and ketones with Zn(CN)₂ and TMS chloride, as an alternative to Trimethylsilyl cyanide, A19598, see: Org. Synth. Coll., 7, 521 (1990).
• Used in combination with a Pd(0) catalyst in improved procedures for the cyanation of aromatic halides, instead of the classical Rosenmund-Von Braun (CuCN) method: Synth. Commun., 24, 557 (1994); Tetrahedron Lett., 40, 8193 (1999); 41, 3271 (2000); 45, 1441 (2004). For cyanation of aryl triflates, see: Tetrahedron Lett., 39, 2907 (1998); Synlett, 1207 (1998). For a review of palladium- and copper-catalyzed cyanations, see: Eur. J. Inorg. Chem., 3513 (2003).