potassium iminomethanide

• ChemBase编号: 129060
• 分子式: CKN
• 平均质量: 65.1157
• 单一同位素质量: 64.96678069
• SMILES: [K+].[C-]#N
• Canonical SMILES: [C-]#N.[K+]
• InChI: InChI=1S/CN.K/c1-2;/q-1;+1
• InChIKey: NNFCIKHAZHQZJG-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: potassium iminomethanide
• IUPAC传统名: potassium cyanide
• 别名: 氰化物, 标准溶液, Specpure®, CN? 1000μg/ml; 氰化钾, ACS; 氰化钾; Potassium cyanide; Cyanide, standard solution, Specpure®, CN? 1000 g/ml; Potassium cyanide, ACS; Potassium cyanide

登记号

• CAS号: 151-50-8
• EC号: 205-792-3
• MDL号: MFCD00468042; MFCD00011397
• Beilstein号: 4652394
• 默克索引号: 147626
• PubChem SID: 162223360
• PubChem CID: 9032
• Chemspider ID: 8681
• 美国药典/FDA物质标识码: MQD255M2ZO
• 维基百科标题: Potassium_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: 0.57 g/100mL in ethanol; 14.6 g/100 mL in formamide; 4.91 g/100 mL (20 °C) in methanol; 41 g/100 mL in hydroxylamine; 71.6 g/100 ml (25 °C) ; 100 g/100 mL (100 °C) in water; soluble in glycerol
• 外观: Granular; Liquid; White crystalline solid ; deliquescent
• 熔点: 634.5°C; 634°C
• 沸点: 1625°C; 1625°C
• 闪点: Non-flammable
• 密度: 1.52; 1.52 g/cm^3
• 折射率: 1.410
• pKa: 11.0
• 气味: faint, almond-like
• 标准摩尔生成焓 (ΔfH^o298): −131.5 kJ/mol
• 标准摩尔熵 (S^o298): 127.8 J K^−1 mol^−1

安全信息

• 保存注意事项: Hygroscopic
• RTECS编号: TS8750000
• 欧盟危险性物质标志: Dangerous for the environment (N); 环境危害性(Nature polluting) (N); 剧毒(Highly toxic) (T+); Very toxic (T+); X
• 联合国危险货物编号: 1680; UN1680
• 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: 20/21/22; 26/27/28-32-50/53; R26/27/28, R32, R50/53
• 安全公开号: 7-28-29-45-60-61; 9-36/37; S1/2, S7, S28, S29, S45, S60, S61
• TSCA收录: 是
• 欧盟危险品索引: 006-007-00-5
• GHS危险品标识: GHS06; GHS09
• NFPA704:
  

  0

  4

  0
• 半数致死量: 5–10 mg/kg (oral in rats, mice, rabbits)
• GHS危险声明: H300-H310-H330-H400-H410; H301-H311-H332
• GHS警示性声明: P260-P301+P310-P304+P340-P320-P330-P361-P405-P501A; P261-P301+P310-P361-P302+P352-P405-P501A

产品相关信息

• 纯度: 96.0% min; 97+%

参考文献

• For crown-ether promoted cyanation reactions and formation of a 1:1 crown-ether complex, see 18-Crown-6, A11249. For cyanation of alkyl halides using phase-transfer catalysis without solvent, see: Bull. Soc. Chim. Fr., 124 (1986). See also Sodium cyanide, L13278.