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About This Item
线性分子式:
NaO3SC6H4CO2H
CAS号:
分子量:
224.17
Beilstein:
5675222
EC 号:
MDL编号:
UNSPSC代码:
12352100
PubChem化学物质编号:
NACRES:
NA.22
质量水平
检测方案
97%
形式
powder
mp
≥300 °C (lit.)
溶解性
water: soluble 25 mg/mL, clear, colorless
SMILES字符串
[Na+].OC(=O)c1cccc(c1)S([O-])(=O)=O
InChI
1S/C7H6O5S.Na/c8-7(9)5-2-1-3-6(4-5)13(10,11)12;/h1-4H,(H,8,9)(H,10,11,12);/q;+1/p-1
InChI key
KQHKITXZJDOIOD-UHFFFAOYSA-M
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一般描述
Sodium 3-sulfobenzoate is the sodium salt of 3-sulfobenzoic acid. Steady state method has been proposed for the evaluation of solubility of its binary solvent mixtures at high temperatures.
应用
Sodium 3-sulfobenzoate has been used in the synthesis of ionic liquid, 1-hexyl-3-propanenitrileimidazolium sulfobenzoate (SBA).
Sodium 3-sulfobenzoate is suitable for use in the preparation of {[Ce(3-SBH)(H2O)4]2CB6}·4NO3 and {[Nd(3-SBH)(H2O)4]2CB6}·4NO3 [SBH=sulfobenzoic acid, CB6=cucurbit[6]uril] complexes. It may be used in the preparation of 4,4′-(ethene-1,2-diyl)dipyridinium bis(3-carboxybenzenesulfonate).
警示用语：
Warning
危险声明
危险分类
Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
靶器官
Respiratory system
WGK
WGK 3
闪点(°F)
Not applicable
闪点(°C)
Not applicable
个人防护装备
dust mask type N95 (US), Eyeshields, Gloves
法规信息
新产品
Equilibrium solubility of sodium 3-sulfobenzoate in binary (sodium chloride+ water),(sodium sulfate+ water), and (ethanol+ water) solvent mixtures at temperatures from (278.15 to 323.15) K.
Li R, et al.
The Journal of Chemical Thermodynamics, 79, 8-11 (2014)
Densities, viscosities, and refractive indices of 1-hexyl-3-propanenitrile imidazolium ionic liquids incorporated with sulfonate-based anions.
Ziyada AK, et al.
Journal of Chemical and Engineering Data, 56(5), 2343-2348 (2011)
Jing Wu et al.
Acta crystallographica. Section E, Structure reports online, 70(Pt 11), o1170-o1170 (2014-12-09)
In the title mol-ecular salt, C12H12N2 (2+)·2C7H5O5S(-), the complete dication is generated by crystallographic inversion symmetry. In the anion, the sulfonic acid group is deprotonated and the dihedral angle between the planes of the carb-oxy-lic acid group and the benzene
Lanthanide Ion Complexes with 2-, 3-, or 4-Sulfobenzoate and Cucurbit [6] uril.
Thue'ry P.
Crystal Growth & Design, 12(3), 1632-1640 (2012)
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