sodium 2λ6-triaza-1,2-diyne

• ChemBase编号: 102738
• 分子式: N3Na
• 平均质量: 65.00987
• 单一同位素质量: 64.9989913
• SMILES: [N-]=[N+]=[N-].[Na+]
• Canonical SMILES: [N-]=[N+]=[N-].[Na+]
• InChI: InChI=1S/N3.Na/c1-3-2;/q-1;+1
• InChIKey: PXIPVTKHYLBLMZ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: sodium 2λ^6-triaza-1,2-diyne; sodium 2λ^5-triaz-1-en-2-yn-1-ide
• IUPAC传统名: sodium azide
• 别名: 叠氮化钠; Azide; Azium; SODIUM AZIDE; Sodium trinitride; Smite; Hydrazoic acid sodium salt; NSC 3072; Sodium azide; Sodium azide

登记号

• CAS号: 26628-22-8
• EC号: 247-852-1
• MDL号: MFCD00003536
• 默克索引号: 148581
• PubChem SID: 162089368; 24899504; 24899772
• PubChem CID: 33557
• CHEBI ID: 278547
• CHEMBL: 89295
• Chemspider ID: 30958
• 维基百科标题: Sodium_azide

理论计算性质

• Acid pKa: 5.091568
• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): -0.11483899
• LogD (pH = 7.4): -0.14936252
• Log P: 0.07809129
• 摩尔折射率: 7.6 cm^3
• 极化性: 2.852743 Å^3
• 极化表面积: 34.14 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: 0.316 g/100 mL (16 °C) in alcohol; 41.0 g/100 mL (15 °C) in water; H2O: soluble1 M at 20 °C, clear, colorless; insoluble in ether; soluble in ammonia; Soluble in water and liquid ammonia. Slightly soluble in alcohol
• 外观: colorless to white solid; Powder or Granular
• 熔点: > 300°C (dec.); 275°C (decomp); ca 275°C dec
• 闪点: 300 °C
• 密度: 1.846; 1.846 g/cm^3 (20 °C); 1.846 g/ml
• 紫外吸收波长: A/275 <1.0
• pKa: 4.8
• 气味: odorless

安全信息

• 保存条件: Room Temperature (15-30°C)
• 保存注意事项: Air Sensitive
• RTECS编号: VY8050000
• 欧盟危险性物质标志: Highly toxic (T+); 环境危害性(Nature polluting) (N); 剧毒(Highly toxic) (T+); Very dangerous for the environment (N)
• 联合国危险货物编号: 1687; UN1687
• 德国WGK号: 2
• 联合国危险货物等级: 6.1
• 联合国危险货物包装类别(PG): 2; II
• 危险公开号: 28-32-50/53; R:28-32-50/53; R28, R32, R50/53
• 安全公开号: 28-45-60-61; S:28-45-60-61; S1/2, S28, 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: 153
• TSCA收录: 是
• 欧盟危险品索引: 011-004-00-7
• GHS危险品标识: GHS06; GHS09
• GHS警示词: Danger
• NFPA704:
  

  0

  4

  4
• 半数致死量: 27 mg/kg (oral, rats/mice)
• GHS危险声明: H300-H400-H410; H300-H410
• GHS警示性声明: P264-P273-P301 + P310-P501; P273-P264-P301+P310-P321-P405-P501A
• 个人保护装置: Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges
• RID/ADR: UN 1687 6.1/PG 2
• 欧盟补充危害声明: Contact with acids liberates very toxic gas.

产品相关信息

• 纯度: ≥99%; ≥99.5%; 98%; 99%
• 级别: ReagentPlus®
• 杂质: ≤0.1% Insoluble matter
• 痕量阳离子: Al: ≤0.0005%; Ca: ≤0.005%; Cu: ≤0.0005%; Fe: ≤0.0005%; K: ≤0.005%; Mg: ≤0.001%; Pb: ≤0.001%; Zn: ≤0.0005%
• 痕量阴离子: chloride (Cl-): ≤0.005%; sulfate (SO42-): ≤0.005%
• 线性分子式: NaN3

详细说明

MP Biomedicals - 02102891

Crystalline
Purity: >99%
NOT FOR EXPORT

Sigma Aldrich - 199931

Application
将酸性卤化物转化成其对应的酰基叠氮化合物以用于 Curtius 反应。1

Sigma Aldrich - S2002

Frequently Asked Questions
Live Chat and Frequently Asked Questions are available for this Product.
包装
2 kg in poly bottle
25, 100, 500 g in poly bottle
5 g in glass bottle
Application
Catalyst for:
• Oxidative decarboxylation1
• Michael addition reactions2Reagent for synthesis of
• Blue fluorescent copolymers3
• Metal phosphonates4
• Arenes via aminations5Involved in regioselective synthesis of prianosin B6
法律信息
ReagentPlus 注册商标 Sigma-Aldrich Co. LLC

Sigma Aldrich - S8032

Application
Hydroazidation Catalyst for Facile Preparation of OrganoazidesCatalyst for:
• Oxidative decarboxylation1
• Michael addition reactions2Reagent for synthesis of
• Blue fluorescent copolymers3
• Metal phosphonates4
• Arenes via aminations5Involved in regioselective synthesis of prianosin B6

参考文献

• The reaction of alkyl halides with the highly-nucleophilic azide anion gives alkyl azides which, because of their facile reduction by hydrogenation, SnCl₂, P(III) reagents, etc., provide an excellent, mild route to primary amines. For a review of the preparation and synthetic uses of azides, see: Chem. Rev., 88, 297 (1988). The preparation of alkyl azides is ideally suited to phase-transfer methods: Synthesis, 823 (1979); Tetrahedron Lett., 3107 (1978); 30, 1245 (1989). The use of ultrasound has also been found to be effective: Acta Chem. Scand. B, 38, 895 (1984). For a one-pot conversion of alkyl bromides to amines using the Staudinger reaction, see Triethyl phosphite, L00339; see also Triphenylphosphine, L02502. For reviews, see: Tetrahedron, 37, 437 (1981); 48, 1353 (1992).
• Reaction with acyl halides or mixed anhydrides gives acyl azides. These undergo the Curtius rearrangement to isocyanates, which can be isolated, or hydrolyzed in situ to the primary amine. For examples, see: Org. Synth. Coll., 6, 95, 910 (1988).
• Reagent for selective cleavage of methyldiphenylsilyl ethers; see Diphenylmethylchlorosilane, L04162.
• For a brief feature on uses of this reagent in Organic synthesis, see: Synlett, 505 (2007).