ammonium formate

• ChemBase编号: 106161
• 分子式: CH5NO2
• 平均质量: 63.0559
• 单一同位素质量: 63.03202841
• SMILES: [NH4+].[O-]C=O
• Canonical SMILES: [O-]C=O.[NH4+]
• InChI: InChI=1S/CH2O2.H3N/c2-1-3;/h1H,(H,2,3);1H3
• InChIKey: VZTDIZULWFCMLS-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: ammonium formate
• IUPAC传统名: ammonium formate; ammonium formira
• 别名: 甲酸铵; Ammonium formate; Formic acid ammonium salt; AMMONIUM FORMATE

登记号

• CAS号: 540-69-2
• EC号: 208-753-9
• MDL号: MFCD00013103
• Beilstein号: 3625095
• 默克索引号: 14523
• PubChem SID: 162087298
• PubChem CID: 2723923

理论计算性质

• Acid pKa: 4.269118
• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): -1.5255477
• LogD (pH = 7.4): -3.257304
• Log P: -0.27204442
• 摩尔折射率: 18.9903 cm^3
• 极化性: 3.1383486 Å^3
• 极化表面积: 40.13 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

• 外观: Crystalline
• 熔点: 116 °C (241 °F); 119-121°C; ca 116°C
• 沸点: Decomposes at 180 °C (356 °F)
• 密度: 1.28; 1.28 (water = 1)
• 蒸汽压: Not applicable

安全信息

• 保存条件: Room Temperature (15-30°C)
• 保存注意事项: Hygroscopic
• RTECS编号: BQ6650000
• 欧盟危险性物质标志: 刺激性(Irritant) (Xi)
• 危险公开号: 36/37/38
• 安全公开号: 26-37
• TSCA收录: 是
• GHS危险品标识: GHS07
• GHS危险声明: H315-H319-H335-H303
• GHS警示性声明: P261-P305+P351+P338-P302+P352-P321-P405-P501A

产品相关信息

• 纯度: 97%, water <3%; 99%

参考文献

• Reagent for N-formylation of secondary amines and anilines: Tetrahedron Lett., 41, 9149 (2000).
• Examples include:
• A simple microwave-assisted method for catalytic transfer hydrogenation in ethylene glycol or 1,3-propanediol has been reported: J. Org. Chem., 64, 5746 (1999).
• Widely used as a hydrogen donor in catalytic hydrogen transfer reductions. Review: Synthesis, 91 (1988). See also Palladium, A12012, Cyclohexene, A11359, Hydrazine monohydrate, A14005, Formic acid, A13285 and Sodium hypophosphite monohydrate, A13385.
• Reduction of aryl nitro groups to amines: Tetrahedron Lett., 25, 3415 (1984). For reductive cyclization of an o-nitrobenzyl ketone to an indole, see: Org. Synth. Coll., 9, 601 (1998). Hydrogenolysis of N-benzyl groups: Synthesis, 53 (1987); Tetrahedron Lett., 28, 515 (1987). Reduction of aldehydes and ketones to methyl and methylene groups: Tetrahedron Lett., 29, 3741 (1988). The temperature- and solvent-dependencies of this type of reaction have been studied: Synth. Commun., 22, 2673, 2683 (1992). Selective reduction of the heterocyclic ring of quinolines and isoquinolines: Synth. Commun., 20, 2815 (1990). Reduction of pyridine N-oxides to piperidines: J. Org. Chem., 66, 5264 (2001). Regioselective reduction of epoxides: J. Org. Chem., 60, 4922 (1995). Ammonium formate was found to be a more active H donor than either sodium formate or formic acid in the catalytic hydrogenolysis of aryl chlorides. For a comparative mechanistic study of this reaction, see: J. Org. Chem., 60, 1347 (1995).