tripotassium (sulfonatooxy)sulfonate hydrogen sulfate

• ChemBase编号: 158666
• 分子式: HK3O11S3
• 平均质量: 390.49124
• 单一同位素质量: 389.75921889
• SMILES: OS(=O)(=O)[O-].[O-]S(=O)(=O)OS(=O)(=O)[O-].[K+].[K+].[K+]
• Canonical SMILES: [O-]S(=O)(=O)OS(=O)(=O)[O-].[O-]S(=O)(=O)O.[K+].[K+].[K+]
• InChI: InChI=1S/3K.H2O7S2.H2O4S/c;;;1-8(2,3)7-9(4,5)6;1-5(2,3)4/h;;;(H,1,2,3)(H,4,5,6);(H2,1,2,3,4)/q3*+1;;/p-3
• InChIKey: ZXJZSJHWYNTTSK-UHFFFAOYSA-K

名称和登记号

名称

• IUPAC标准名: tripotassium (sulfonatooxy)sulfonate hydrogen sulfate
• IUPAC传统名: tripotassium disulfate hydrogensulfate
• 别名: 硫酸氢钾, ACS; 焦硫酸鉀; Potassium hydrogen sulfate, fused, ACS, mixture of potassium pyrosulfate, K2S2O7, and potassium bisulfate, KHSO4; Potassium hydrogensulfate, fused

登记号

• MDL号: MFCD00066385
• PubChem SID: 24853397; 162252802
• PubChem CID: 16211601

理论计算性质

• Acid pKa: -3.4438145
• 质子受体: 6
• 质子供体: 0
• LogD (pH = 5.5): -5.8375955
• LogD (pH = 7.4): -5.8375964
• Log P: -1.0847987
• 摩尔折射率: 21.5192 cm^3
• 极化性: 11.25267 Å^3
• 极化表面积: 123.63 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: true

分子性质

理化性质

• 外观: Fused Powder
• 熔点: 214°C
• 密度: 2.512 g/mL at 25 °C(lit.)

安全信息

• 保存注意事项: Hygroscopic
• 欧盟危险性物质标志: 腐蚀性(Corrosive) (C)
• 联合国危险货物编号: 2509; UN2509
• 德国WGK号: 3
• 联合国危险货物等级: 8
• 联合国危险货物包装类别(PG): 2; II
• 危险公开号: 34-37
• 安全公开号: 20-26-36/37/39-45; 26-36/37/39-45
• TSCA收录: 是
• GHS危险品标识: GHS05; GHS07
• GHS警示词: Danger
• GHS危险声明: H314-H335
• GHS警示性声明: P260-P303+P361+P353-P305+P351+P338-P301+P330+P331-P405-P501A; P261-P280-P305 + P351 + P338-P310
• 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 2509 8/PG 2

产品相关信息

• 级别: ACS reagent
• 杂质: ≤0.002% H2SO4; ≤0.01% insolubles; ≤2.5% water
• 痕量阳离子: Ca: ≤0.002%; Fe: ≤0.002%; heavy metals: ≤0.001%; Mg: ≤0.001%; Na: ≤0.01%
• 痕量阴离子: chloride (Cl-): ≤0.002%; phosphate (PO43-): ≤0.001%
• 酸值: 37.5-38.6%

详细说明

Sigma Aldrich - 223697

包装
1 kg in glass bottle
5, 250 g in glass bottle