sodium iminomethanide

• ChemBase编号: 105864
• 分子式: CNNa
• 平均质量: 49.00717
• 单一同位素质量: 48.99284329
• SMILES: [Na+].[C-]#N
• Canonical SMILES: [C-]#N.[Na+]
• InChI: InChI=1S/CN.Na/c1-2;/q-1;+1
• InChIKey: MNWBNISUBARLIT-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: sodium iminomethanide
• IUPAC传统名: sodium cyanide
• 别名: 氰化钠, ACS; 氰化钠, 颗粒; Sodium cyanide, ACS; Sodium cyanide, granules; Sodium cyanide; Cyanogran; Hydrocyanic Acid, Sodium Salt; SODIUM CYANIDE ACS REAGENT GRADE

登记号

• CAS号: 143-33-9
• EC号: 205-599-4
• MDL号: MFCD00003523
• Beilstein号: 3587243
• 默克索引号: 148605
• PubChem SID: 162092971
• PubChem CID: 8929
• CHEMBL: 1644697
• Chemspider ID: 8587
• 维基百科标题: Sodium_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: 48 g/100 mL (10 °C) ; 82 g/100 mL (34.7 °C) in water; Soluble in water
• 外观: Granular; white solid
• 熔点: 563 °C; 563.7°C; 563°C
• 沸点: 1496°C; 1497 °C; ca 1500°C
• 闪点: Non-flammable
• 密度: 1.595 g/cm^3; 1.595 g/cm^3 at 20 °C; 1.61
• 折射率: 1.452
• 蒸汽压: .1 hPa at 50 °C
• 气味: faint almond-like

安全信息

• 保存条件: Room Temperature (15-30°C)
• 保存注意事项: Hygroscopic
• RTECS编号: VZ7525000
• 欧盟危险性物质标志: Dangerous for the environment (N)Corrosive (C); 环境危害性(Nature polluting) (N); 剧毒(Highly toxic) (T+); Very toxic (T+)
• 联合国危险货物编号: 1689; UN1689
• 联合国危险货物等级: 6.1
• 联合国危险货物包装类别(PG): I
• 澳大利亚Hazchem: 2X
• 危险公开号: 26/27/28-32-50/53; R:27/28; R26/27/28, R32, R50/53
• 安全公开号: 7-28-29-45-60-61; S:28-29-36/37/39-45; S1/2, S7, S28, S29, S45, S60, S61
• 欧盟危险货物分类: T2
• 欧盟危险识别号(EUHIN): 6.1B
• 美国ERG指导号: 157
• 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: 5.8–15 mg/kg (oral in rats, mice)
• 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: ≥95%; 95% min; 98%
• 级别: ACS; REAGENT

详细说明

MP Biomedicals - 02194866

ACS Reagent Grade
Purity: >95%
NOT FOR EXPORT

参考文献

• Cyanations of alkyl halides are often carried out most conveniently under phase-transfer conditions: Synth. Commun., 6, 193 (1976); see: E. V. Dehmlow and S. S. Dehmlow, Phase-Transfer Catalysis, 3rd ed., VCH, N.Y. (1993), for further extensive examples. DMSO is also a good solvent for these reactions: J. Org. Chem., 25, 257, 877 (1960).
• For formation of Reissert compounds, see Quinoline, A11545.
• Mild catalyst for the aminolysis of esters to primary amides: J. Org. Chem., 52, 2033 (1987).
• For generation of cyanogen bromide by reaction with bromine, see: Org. Synth. Coll ., 7, 435 (1990).
• See also Potassium cyanide, L13273.