sodium formate

• ChemBase编号: 103671
• 分子式: CHNaO2
• 平均质量: 68.00721
• 单一同位素质量: 67.98742355
• SMILES: [Na+].[O-]C=O
• Canonical SMILES: [O-]C=O.[Na+]
• InChI: InChI=1S/CH2O2.Na/c2-1-3;/h1H,(H,2,3);/q;+1/p-1
• InChIKey: HLBBKKJFGFRGMU-UHFFFAOYSA-M

名称和登记号

名称

• IUPAC标准名: sodium formate
• IUPAC传统名: sodium formira; potassium formira; sodium formate
• 别名: 甲酸钠, ACS; 甲酸钠 溶液; 蚁酸 钠盐; 甲酸钠; ? 1000 g/ml; Sodium formate, ACS; Sodium formate solution; formic acid; sodium salt; Sodium formate; Formic Acid sodium salt; SODIUM FORMATE, ACS; Sodium formate; Formate, Ion chromatography standard solution, Specpure®, HCO

登记号

• CAS号: 141-53-7
• EC号: 231-791-2; 205-488-0
• MDL号: MFCD00003297; MFCD00013101
• Beilstein号: 3723428; 3595134
• 默克索引号: 148621
• PubChem SID: 24886222; 24850741; 24846771; 24886223; 24869104; 162103130; 24854877
• PubChem CID: 2723810
• CHEMBL: 183491
• Chemspider ID: 8517
• 美国药典/FDA物质标识码: 387AD98770
• 维基百科标题: Sodium_formate

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

• 溶解度: 97.2 g/100 mL (20 °C) ; 160 g/100 mL (100 °C) in water; H2O: soluble0.1 g/mL at 25 °C, clear, colorless; H2O: soluble1 M at 20 °C, clear, colorless; H2O: soluble8 M at 20 °C, clear, colorless; insoluble in ether ; soluble in glycerol, alcohol; Soluble in water, glycerol. Slightly soluble in alcohol
• 外观: Crystalline; Liquid; powder and chunks; white granules ; deliquescent
• 熔点: 253°C; 255 °C; 259-262 °C(lit.); 259-262°C
• 沸点: decomposes
• 密度: 1.92; 1.92 g/cm^3 (20 °C); 1.92 g/cm^3 at 20 °C
• 蒸汽压: 0 at 20 °C
• 紫外吸收波长: λ: 260 nm Amax: 0.01; λ: 260 nm Amax: 0.02; λ: 260 nm Amax: 0.05; λ: 270 nm Amax: 0.04; λ: 280 nm Amax: 0.01; λ: 300 nm Amax: 0.03; λ: 330 nm Amax: 0.02; λ: 500 nm Amax: 0.02
• pKa: 7.0-8.5 (0.1M)
• pH值: 7.0-8.5 (20 °C, 10% in H2O); 7.0-8.5 (25 °C, 1 M in H2O); 7.0-8.5 (25 °C, 50 mg/mL in H2O); 7.4-9.0 (25 °C, 8 M in H2O)

安全信息

• 保存条件: Room Temperature (15-30°C), Desiccate
• 保存注意事项: Hygroscopic
• RTECS编号: LR0350000
• 欧盟危险性物质标志: 刺激性(Irritant) (Xi)
• 德国WGK号: 1
• 危险公开号: 36-67; R:36/37/38
• 安全公开号: 26; S:20-25-26-37/39
• TSCA收录: 是
• GHS危险品标识: GHS07
• GHS警示词: Warning
• NFPA704:
  

  1
• GHS危险声明: H319-H336
• GHS警示性声明: P261-P305 + P351 + P338
• 个人保护装置: Eyeshields, Gloves; Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

产品相关信息

• 纯度: ≥99.0%; ≥97.0%; ≥98.0%; ≥98.0% (NT); ≥99.0%; ≥99.0% (NT); 97%; 98%; 99.0% min; 99.998% trace metals basis
• 浓度: 10 mM NaOH in isopropanol/water 1:1 (+0.2% HCOOH); 8 M in H2O
• 级别: ACS; ACS reagent; for HPLC; JIS special grade; puriss. p.a.; purum p.a.; REAGENT; reagent grade
• 适用性: corresponds for filter test; corresponds for mass spectrometry; corresponds to standard for RP gradient test; suitable for LC-MS
• 杂质: ≤0.0005% Phosphorus (P); ≤0.001% heavy metals (as Pb); ≤0.005% insolubles; ≤0.1% Insoluble matter; insoluble matter, passes filter test
• 痕量阳离子: Al: ≤0.0005%; Al: ≤1 mg/dL; Al: ≤5 mg/kg; As: ≤0.1 mg/kg; Ba: <1 mg/kg; Ba: ≤5 mg/kg; Bi: ≤1 mg/kg; Bi: ≤5 mg/kg; Ca: ≤0.005%; Ca: ≤10 mg/kg; Ca: ≤5 mg/kg; Ca: ≤50 mg/kg; Cd: ≤1 mg/kg; Cd: ≤5 mg/kg; Cd: ≤50 mg/kg; Co: ≤1 mg/kg; Co: ≤5 mg/kg; Co: ≤50 mg/kg; Cr: ≤1 mg/kg; Cr: ≤5 mg/kg; Cu: ≤0.0005%; Cu: ≤1 mg/kg; Cu: ≤5 mg/kg; Cu: ≤50 mg/kg; Fe: ≤0.0005%; Fe: ≤1 mg/kg; Fe: ≤10 mg/kg; Fe: ≤5 mg/kg; Fe: ≤5 ppm; Fe: ≤50 mg/kg; heavy metals (as Pb): ≤5 ppm; K: ≤0.005%; K: ≤100 mg/kg; K: ≤50 mg/kg; Li: ≤1 mg/kg; Li: ≤5 mg/kg; Mg: ≤0.0005%; Mg: ≤1 mg/kg; Mg: ≤5 mg/kg; Mn: ≤1 mg/kg; Mn: ≤5 mg/kg; Mo: ≤1 mg/kg; Mo: ≤5 mg/kg; NH4+: ≤0.1%; Ni: ≤1 mg/kg; Ni: ≤5 mg/kg; Ni: ≤50 mg/kg; Pb: ≤0.001%; Pb: ≤1 mg/kg; Pb: ≤5 mg/kg; Pb: ≤50 mg/kg; Sr: ≤1 mg/kg; Sr: ≤5 mg/kg; Zn: ≤0.0005%; Zn: ≤1 mg/kg; Zn: ≤5 mg/kg; Zn: ≤50 mg/kg
• 痕量阴离子: chloride (Cl-): ≤0.001%; chloride (Cl-): ≤0.2%; chloride (Cl-): ≤10 mg/kg; chloride (Cl-): ≤100 mg/kg; chloride (Cl-): ≤5 mg/kg; chloride (Cl-): ≤50 mg/kg; phosphate (PO43-): ≤10 mg/kg; sulfate (SO42-): ≤0.001%; sulfate (SO42-): ≤10 mg/kg; sulfate (SO42-): ≤100 mg/kg; sulfate (SO42-): ≤50 mg/kg
• λ: 1 M in H2O; 10 % in H2O; 8 M in H2O
• 产品线: BioUltra
• 线性分子式: HCOONa

详细说明

MP Biomedicals - 02152576

ACS Reagent Grade
Purity: ≥99.0%

Sigma Aldrich - 71539

Other Notes
Purification and assay of formate dehydrogenase (EC 1.2.1.43) from Cl. thermoaceticum1; Solvent component in the chromatographic separation of nucleotides on polyethyleneimine-cellulose layers2,3; As gradient material in zonal centrifugation4

Sigma Aldrich - 456020

包装
5, 25 g in poly bottle

Sigma Aldrich - 107603

包装
1 kg in poly bottle
4kg 开口塑料桶包装；100g、1kg 塑料瓶包装
4 kg in poly drum

Sigma Aldrich - 247596

包装
100, 500 g in poly bottle
2.5 kg in poly bottle

参考文献

• Under phase-transfer conditions converts primary alkyl chlorides to alcohols via the formate esters: Synthesis, 763 (1986).
• Converts Grignard reagents to aldehydes in excellent yields: Tetrahedron Lett., 25, 1843 (1984). Lithium formate may also be used.
• Reaction with acetyl chloride gives the useful formylating agent, formic acetic anhydride. For details, including isolation by distillation, see: Org. Synth. Coll., 6, 8 (1988); review: Tetrahedron, 46, 1081 (1990).
• Reduces amine oxides to amines under mild conditions: Chem. Lett., 1517 (1985).
• Can be used as a hydrogen donor in catalytic transfer hydrogenation reactions. More active hydrogen donor than formic acid in hydrogenolysis of aryl chlorides. For a comparative mechanistic study of formic acid and formate salts in this reaction, see: J. Org. Chem., 60, 1347 (1995). See also Ammonium formate, A10699.