2-hydroxy-5-sulfobenzoic acid dihydrate

• ChemBase编号: 103676
• 分子式: C7H10O8S
• 平均质量: 254.2145
• 单一同位素质量: 254.00963828
• SMILES: O.O.OC(=O)c1c(O)ccc(c1)S(=O)(=O)O
• Canonical SMILES: OC(=O)c1cc(ccc1O)S(=O)(=O)O.O.O
• InChI: InChI=1S/C7H6O6S.2H2O/c8-6-2-1-4(14(11,12)13)3-5(6)7(9)10;;/h1-3,8H,(H,9,10)(H,11,12,13);2*1H2
• InChIKey: BHDKTFQBRFWJKR-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-hydroxy-5-sulfobenzoic acid dihydrate
• IUPAC传统名: sulfosalicylic acid dihydrate
• 别名: 2-羟基-5-磺基苯甲酸; 5-磺基水杨酸 二水合物; 5-磺酸基水杨基酸二水合物, ACS; 5-磺酸基水杨酸二水合物; 3-carboxy-4-hydroxybenzenesulfonic acid; Kalcolor anodizing acid; 5-Sulfosalicylsaeure; 5-Sulfosalicylsyre; 5-SULFOSALICYLIC ACID DIHYDRATE; 2-Hydroxy-5-sulfobenzoic acid; 5-SULFOSALICYLIC ACID, ACS; 5-Sulfosalicylic acid dihydrate; 5-Sulfosalicylic acid dihydrate, ACS; 2-Hydroxy-5-sulfobenzoic acid dihydrate

登记号

• CAS号: 5965-83-3
• EC号: 202-555-6
• MDL号: MFCD00007508; MFCD00149540
• Beilstein号: 650741
• 默克索引号: 148964
• PubChem SID: 24854842; 24899512; 24860363; 24899747; 24899547; 162090910
• PubChem CID: 2723734

理论计算性质

• Acid pKa: -2.807251
• 质子受体: 6
• 质子供体: 3
• LogD (pH = 5.5): -4.012149
• LogD (pH = 7.4): -4.7240524
• Log P: 1.1581701
• 摩尔折射率: 45.9176 cm^3
• 极化性: 18.127308 Å^3
• 极化表面积: 111.9 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

• 溶解度: H2O: soluble0.5 M at 20 °C, clear, colorless; H2O: soluble1 M, clear, colorless; Soluble in water
• 外观: Powder
• 熔点: 103-112°C; 105-110 °C(lit.); 107-109 °C; 110°C; 110-112 °C
• 沸点: Decomposes

安全信息

• 保存条件: Room Temperature (15-30°C), Protect from light
• 保存注意事项: Light Sensitive
• RTECS编号: VO6500000
• 欧盟危险性物质标志: 腐蚀性(Corrosive) (C); X; 有害性(Harmful) (Xn)
• 联合国危险货物编号: UN2585
• 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): III
• 危险公开号: 22-34; 22-36/37/38; R:22-36/37/38-43
• 安全公开号: 26-36/37/39-45; 26-36/37/39-45-60; S:20-25-26-37/39
• TSCA收录: 是
• GHS危险品标识: GHS05; GHS07
• GHS警示词: Danger; Warning
• GHS危险声明: H302-H314; H314-H318-H302; H315-H319-H335
• GHS警示性声明: P260-P303+P361+P353-P305+P351+P338-P301+P330+P331-P405-P501A; P261-P305 + P351 + P338; P280-P305 + P351 + P338-P310
• 个人保护装置: dust mask type N95 (US), Eyeshields, Gloves

产品相关信息

• 纯度: ~98%; ≥98.0% (T); ≥99%; ≥99.0; ≥99.0%; ≥99.0% (T); 98%; 99.0-101.0%; 99.0-101.0% (ACS specification); 99+%
• 级别: ACS; ACS reagent; for electrophoresis; for metal titration; JIS special grade; puriss. p.a.; purum p.a.; REAGENT; ReagentPlus®; SAJ first grade
• 适用性: in accordance for electrophoresis test
• 燃烧残渣: ≤0.1%; ≤0.1% (as SO4)
• 杂质: ≤0.0005% Phosphorus (P); ≤0.001% heavy metals (as Pb); ≤0.01% free salicylic acid; ≤0.02% Insoluble matter; ≤0.02% insolubles; ≤0.04% salicylic acid; ≤0.05% Salicylic Acid
• 痕量阳离子: Al: ≤0.002%; Ca: ≤0.005%; Ca: ≤50 mg/kg; Cd: ≤50 mg/kg; Co: ≤50 mg/kg; Cu: ≤0.0005%; Cu: ≤50 mg/kg; Fe: ≤0.001%; Fe: ≤0.002%; Fe: ≤10 mg/kg; Fe: ≤50 mg/kg; heavy metals (as Pb): ≤0.002%; heavy metals: ≤0.002%; K: ≤0.005%; K: ≤100 mg/kg; Mg: ≤0.0005%; Na: ≤0.005%; Na: ≤100 mg/kg; NH4+: ≤0.05%; Ni: ≤50 mg/kg; Pb: ≤0.001%; Pb: ≤50 mg/kg; Zn: ≤0.0005%; Zn: ≤50 mg/kg
• 痕量阴离子: chloride (Cl-): ≤0.001%; chloride (Cl-): ≤10 mg/kg; chloride (Cl-): ≤50 mg/kg; sulfate (SO42-): ≤0.02%; sulfate (SO42-): ≤0.1%; sulfate (SO42-): ≤200 mg/kg
• 线性分子式: HO3SC6H3-2-(OH)CO2H·2H2O

详细说明

MP Biomedicals - 02160001

Dihydrate
Crystalline
Purity: ~98%
Reagent for precipitation of proteins from serum and tissue.
Also useful for detection of cobalt.

MP Biomedicals - 02152585

Dihydrate
ACS Reagent Grade
Purity: 99.0-101.0%

Sigma Aldrich - S3147

Analysis Note
已针对用于 PAGE、SDS-PAGE 和 IEF 的固定液而进行了测试。
Application
溶于 12% 三氯乙酸的 5-磺基水杨酸 (3.5%) 通常用作琼脂糖和聚丙烯酰胺凝胶中蛋白质的固定液。

Sigma Aldrich - 86192

Other Notes
在检测氨基酸前用于生物样品的脱蛋白1

Sigma Aldrich - S2130

包装
1 kg in poly bottle
100, 500 g in poly bottle
法律信息
ReagentPlus 注册商标 Sigma-Aldrich Co. LLC

Sigma Aldrich - 247006

包装
100, 500 g in poly bottle
Application
显色剂，用于检测薄层层析板上的氨基酸。1聚苯胺的掺杂剂。2,3

参考文献

• Deproteinization reagent: J. Chromat., 74, 255 (1973); 570, 285 (1991). Spray reagent for detection of sugars on TLC: J. Chromat., 315, 401 (1985).
• Acid catalyst, alternative to tosic acid in certain esterification and acetalization reactions: Org. Synth. Coll., 1, 246 (1941); J. Am. Chem. Soc., 76, 743 (1954); 80, 6613 (1958); J. Org. Chem., 28, 2425 (1963).