carbonic acid diamine

• ChemBase编号: 106205
• 分子式: CH8N2O3
• 平均质量: 96.08582
• 单一同位素质量: 96.05349213
• SMILES: N.N.OC(=O)O
• Canonical SMILES: OC(=O)O.N.N
• InChI: InChI=1S/CH2O3.2H3N/c2-1(3)4;;/h(H2,2,3,4);2*1H3
• InChIKey: PRKQVKDSMLBJBJ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: carbonic acid diamine
• IUPAC传统名: soda diamine
• 别名: 碳酸铵; 鹿角盐; 碳酸铵; Ammonium carbonate; AMMONIUM CARBONATE, HPLC GRADE; Ammonii carbonas; Hartshorn salt; Ammonium carbonate

登记号

• CAS号: 506-87-6
• EC号: 208-058-0
• MDL号: MFCD00010890
• Beilstein号: 4253487
• PubChem SID: 24863709; 24846271; 162093136; 24847060; 24886691; 24852475
• PubChem CID: 10480
• Chemspider ID: 10048
• 美国药典/FDA物质标识码: PDP691CN28
• 维基百科标题: Ammonium_carbonate

理论计算性质

• Acid pKa: 6.0525417
• 质子受体: 3
• 质子供体: 2
• LogD (pH = 5.5): 0.142811
• LogD (pH = 7.4): -1.1138874
• Log P: 0.25005138
• 摩尔折射率: 9.4982 cm^3
• 极化性: 3.880898 Å^3
• 极化表面积: 57.53 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: H2O: soluble0.1 g/mL at 25 °C, clear, colorless; Soluble, decomposes in hot water
• 外观: White powder
• 熔点: 58 °C; 58°C
• 沸点: Decomposes
• 密度: 1.50 g/cm^3
• 蒸汽密度: 2.7 (vs air)
• 紫外吸收波长: λ: 240 nm Amax: 0.1; λ: 250 nm Amax: 0.04; λ: 260 nm Amax: 0.02; λ: 280 nm Amax: 0.01; λ: 500 nm Amax: 0.01

安全信息

• 保存条件: Room Temperature (15-30°C)
• RTECS编号: BP1925000
• 欧盟危险性物质标志: 环境危害性(Nature polluting) (N); 刺激性(Irritant) (Xi); 有害性(Harmful) (Xn)
• 联合国危险货物编号: 3077
• 德国WGK号: 1
• 联合国危险货物等级: 9
• 联合国危险货物包装类别(PG): III
• 澳大利亚Hazchem: 2X
• 危险公开号: 22-52; R:58-36/37/38
• 安全公开号: S:20-25-26-37/39-61
• 美国ERG指导号: 171
• GHS危险品标识: GHS07
• GHS警示词: Warning
• 主要危害: Irritant
• GHS危险声明: H302
• 个人保护装置: dust mask type N95 (US), Eyeshields, Gloves

产品相关信息

• 纯度: ≥20.0% NH3 basis; ≥30% NH3 basis (T); ≥30.0% NH3 basis; 30-33% NH3 basis (T); 99.999% trace metals basis
• 级别: ACS reagent; for HPLC; HPLC; NF; puriss.; puriss. p.a.; purum p.a.; SAJ first grade; SAJ special grade
• 适用性: complies for appearance of solution; complies for cyclovoltagram; corresponds for filter test; passes test for RP gradient test
• 燃烧残渣: ≤0.05% (as SO4)
• 简要说明: mixture of variable proportions of ammonium bicarbonate and ammonium carbamate; Mixture of variable proportions of ammonium bicarbonate and ammonium carbamate
• 杂质: ≤0.0005% heavy metals (as Pb); ≤0.002% total sulfur (as SO4); ≤0.005% insolubles; ≤0.01 nonvolatiles; ≤0.05% non-volatile matter; residual solvents, complies
• 痕量阳离子: As: ≤3 mg/kg; Ca: ≤10 mg/kg; Ca: ≤50 mg/kg; Cd: ≤5 mg/kg; Cd: ≤50 mg/kg; Co: ≤5 mg/kg; Co: ≤50 mg/kg; Cr: ≤5 mg/kg; Cu: ≤5 mg/kg; Cu: ≤50 mg/kg; Fe: ≤5 mg/kg; Fe: ≤5 ppm; Fe: ≤50 mg/kg; heavy metals (as Pb): ≤5 ppm; K: ≤100 mg/kg; K: ≤50 mg/kg; Mg: ≤50 mg/kg; Mn: ≤5 mg/kg; Na: ≤100 mg/kg; Na: ≤50 mg/kg; Ni: ≤5 mg/kg; Ni: ≤50 mg/kg; Pb: ≤3 mg/kg; Pb: ≤5 mg/kg; Pb: ≤50 mg/kg; Zn: ≤5 mg/kg; Zn: ≤50 mg/kg
• 痕量阴离子: chloride (Cl-): ≤10 mg/kg; chloride (Cl-): ≤5 mg/kg; chloride (Cl-): ≤5 ppm; chloride (Cl-): ≤50 mg/kg; sulfate (SO42-): ≤0.002%; sulfate (SO42-): ≤50 mg/kg
• 品质说明: meets analytical specification of NF, Ph. Franç., FCC
• λ: 10 % in H2O
• 药典: testing & handling conforms to Pharmacopeia
• 线性分子式: (NH4)2CO3

详细说明

Sigma Aldrich - 68392

Application
Catalyst for N-oxidation of amines1Reactant for the the synthesis of nitriles2 Reagent for synthesis of propylene carbonate3

Sigma Aldrich - 379999

包装
10, 50 g in poly bottle

Sigma Aldrich - 207861

包装
1, 2.5 kg in poly bottle
25, 100, 500 g in poly bottle