14996-02-2 ((Sulfate, hydrogen(8CI,9CI))

CAS号:
14996-02-2
英文名称:
Sulfate, hydrogen(8CI,9CI)
分子式:
HO4S
分子量:
97.0705392360687

Sulfate, hydrogen(8CI,9CI)(14996-02-2)名称与标识符

名称

英文别名:
Sulfate, hydrogen(8CI,9CI);Bisulfate;Hydrogen Sulfate;Bisulfate, aqueous solution;Bisulfate, aqueous solution [UN2837] [Corrosive];Sulfate, hydrogen;UN2837;Sulfuric acid hydrogenion;hydrogen sulfate ion;hydrogensulphate;Hydrogen sulphate;DTXSID20897131;Sulfate(1-), tetraoxo-;hydrogensulfate;Q27110051;14996-02-2;HSO4-;Bisulfate anion;Tetraoxosulfate(1-);QAOWNCQODCNURD-UHFFFAOYSA-M;CHEBI:45696;Q3143743;

标识符

InChIKey:
QAOWNCQODCNURD-UHFFFAOYSA-M
Inchi:
1S/H2O4S/c1-5(2,3)4/h(H2,1,2,3,4)/p-1
SMILES:
S(=O)(=O)([O-])O

Sulfate, hydrogen(8CI,9CI)(14996-02-2)物化性质

实验特性

  • LogP : 0.08540
  • PSA : 85.81000

计算特性

  • 精确分子量 : 96.95960
  • 氢键供体数量 : 1
  • 氢键受体数量 : 4
  • 可旋转化学键数量 : 0
  • 同位素质量 : 96.95955468g/mol
  • 重原子数量 : 5
  • 复杂度 : 76
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 0
  • 不确定原子立构中心数量 : 0
  • 确定化学键立构中心数量 : 0
  • 不确定化学键立构中心数量 : 0
  • 共价键单元数量 : 1
  • 疏水参数计算参考值(XlogP) : -1.5
  • 拓扑分子极性表面积 : 85.8Ų

Sulfate, hydrogen(8CI,9CI)(14996-02-2)合成路线

合成路线:1 步
反应条件:
参考文献:
A process for the preparation of isavuconazonium sulfate
, World Intellectual Property Organization, , ,
合成路线:1 步
反应条件:
参考文献:
Preparation of isavuconazonium sulfate
, World Intellectual Property Organization, , ,
合成路线:1 步
反应条件:
参考文献:
Preparation of isavuconazole sulfate
, China, , ,
合成路线:1 步
反应条件:
参考文献:
Preparation of isavuconazonium monosulfate by bisulfate/sulfate anion exchange technology
, China, , ,
合成路线:1 步
反应条件:
参考文献:
Method for preparing isavuconazonium sulfate by oxidation-reduction reaction
, China, , ,
合成路线:1 步
反应条件:
参考文献:
Method for preparing antifungal drug isavuconazonium sulfate
, China, , ,
合成路线:1 步
反应条件:
参考文献:
Process for the preparation of isavuconazonium sulfate
, India, , ,
合成路线:1 步
反应条件:
参考文献:
Preparation of isavuconazonium sulfate
, China, , ,
合成路线:1 步
参考文献:
Crystalline form of isavuconazonium sulfate and a process for its preparation
, India, , ,
合成路线:1 步
参考文献:
Preparation of (2-(methylamino)pyridin-3-yl)methanol as intermediate for preparing isavuconazonium sulfate as antifungal agents
, China, , ,
合成路线:1 步
参考文献:
Preparation of isavuconazonium sulfate
, China, , ,
合成路线:1 步
参考文献:
Isavuconazonium salts and process for preparing thereof
, World Intellectual Property Organization, , ,
合成路线:1 步
参考文献:
Preparation of isavuconazonium sulfate and intermediates thereof
, China, , ,
合成路线:1 步
反应条件:
参考文献:
Thiono compounds. 5. Preparation and oxidation of some thiono derivatives of imidazoles
Karkhanis, Dattatraya W.; Field, Lamar, Phosphorus and Sulfur and the Related Elements, 1985, 22(1), 49-57
合成路线:1 步
反应条件:
参考文献:
Ionic Liquids as Catalyst for Synthesis of Some Aromatic Peracetylated N-(β-D-Glucopyranosyl) Thiosemicarbazones
Thanh, Nguyen Dinh; et al, Current Organic Synthesis, 2016, 13(5), 767-774
合成路线:1 步
反应条件:
参考文献:
Kinetics Study of the Ketalization Reaction of Cyclohexanone with Glycol Using Bronsted Acidic Ionic Liquids as Catalysts
Tao, Duan-Jian; et al, Industrial & Engineering Chemistry Research, 2012, 51(50), 16263-16269
合成路线:1 步
反应条件:
参考文献:
Anionic SO3H-functionalized ionic liquid: An efficient and recyclable catalyst for the Pechmann reaction of phenols with ethyl acetoacetate
Song, Dayong; et al, Synthetic Communications, 2018, 48(6), 692-698
合成路线:1 步
反应条件:
参考文献:
Bronsted Acidic Ionic Liquid Catalyzed Three-Component Friedel-Crafts Reaction for the Synthesis of Unsymmetrical Triarylmethanes
Rinkam, Suttida; et al, Synlett, 2022, 33(14), 1383-1390
合成路线:1 步
反应条件:
参考文献:
Groebke-Blackburn-Bienayme Multicomponent Reaction Catalysed by Reusable Bronsted acidic ionic Liquids
Anjos, Nicolas S.; et al, European Journal of Organic Chemistry, 2022, 2022(40),
合成路线:1 步
反应条件:
参考文献:
Reusable Task-Specific Ionic Liquids for a Clean ε-Caprolactam Synthesis under Mild Conditions
Turgis, Raphael; et al, ChemSusChem, 2010, 3(12), 1403-1408
合成路线:1 步
反应条件:
参考文献:
Pd-catalyzed ethylene methoxycarbonylation with Bronsted acid ionic liquids as promoter and phase-separable reaction media
Garcia-Suarez, Eduardo J.; et al, Green Chemistry, 2014, 16(1), 161-166
合成路线:1 步
反应条件:
参考文献:
Polypyrrole nanocomposites doped with functional ionic liquids for high performance supercapacitors
Cao, Peng; et al, New Journal of Chemistry, 2018, 42(5), 3909-3916
合成路线:1 步
反应条件:
参考文献:
Catalytic performance of acidic ionic liquids for esterification of α-methacrylic acid and stearyl alcohol
Peng, Jiani; et al, Shiyou Xuebao, 2016, 32(1), 193-200
合成路线:1 步
反应条件:
参考文献:
Nanosilica-supported dual acidic ionic liquid as a heterogeneous and reusable catalyst for the synthesis of flavanones under solvent-free conditions
Rostamizadeh, Shahnaz; et al, Chemistry of Heterocyclic Compounds (New York, 2015, 51(6), 526-530
合成路线:1 步
反应条件:
参考文献:
Synthesis of tributyl citrate using acid ionic liquid as catalyst
Xu, Junming; et al, Process Safety and Environmental Protection, 2010, 88(1), 28-30
合成路线:1 步
反应条件:
参考文献:
Broensted acidic ionic liquids as novel catalysts for the hydrolyzation of soybean isoflavone glycosides
Yang, Qiwei; et al, Catalysis Communications, 2008, 9(6), 1307-1311
合成路线:1 步
反应条件:
参考文献:
Efficient synthesis of 4-phenacylideneflavenes using recyclable gelified Bronsted acidic ionic liquid under solvent-free and column chromatography-free conditions: a green method and mechanistic insight
Nguyen, Xuan-Trang T.; et al, Journal of Chemical Technology and Biotechnology, 2022, 97(3), 653-661
合成路线:2 步
反应条件:
参考文献:
Polypyrrole nanocomposites doped with functional ionic liquids for high performance supercapacitors
Cao, Peng; et al, New Journal of Chemistry, 2018, 42(5), 3909-3916
合成路线:2 步
反应条件:
参考文献:
Efficient synthesis of 4-phenacylideneflavenes using recyclable gelified Bronsted acidic ionic liquid under solvent-free and column chromatography-free conditions: a green method and mechanistic insight
Nguyen, Xuan-Trang T.; et al, Journal of Chemical Technology and Biotechnology, 2022, 97(3), 653-661
合成路线:2 步
反应条件:
参考文献:
Synthesis of methylal from methanol and formaldehyde catalyzed by Bronsted acid ionic liquids with different alkyl groups
Sun, Jiahan; et al, RSC Advances, 2015, 5(106), 87200-87205
合成路线:3 步
反应条件:
参考文献:
Synthesis of polyoxymethylene dimethyl ethers from methylal and trioxane catalyzed by Bronsted acid ionic liquids with different alkyl groups
Wu, Qin; et al, RSC Advances, 2015, 5(71), 57968-57974
合成路线:2 步
反应条件:
参考文献:
A non-metal route to realize the bio-based polyester of poly(hexylene succinate): preparation conditions, side-reactions and mechanism in sulfonic acid-functionalized Bronsted acidic ionic liquids
Wei, Chenyang; et al, RSC Advances, 2020, 10(58), 35381-35388
合成路线:3 步
反应条件:
参考文献:
Efficient synthesis of 4-phenacylideneflavenes using recyclable gelified Bronsted acidic ionic liquid under solvent-free and column chromatography-free conditions: a green method and mechanistic insight
Nguyen, Xuan-Trang T.; et al, Journal of Chemical Technology and Biotechnology, 2022, 97(3), 653-661
合成路线:3 步
反应条件:
参考文献:
Synthesis of methylal from methanol and formaldehyde catalyzed by Bronsted acid ionic liquids with different alkyl groups
Sun, Jiahan; et al, RSC Advances, 2015, 5(106), 87200-87205
合成路线:4 步
反应条件:
参考文献:
Synthesis of polyoxymethylene dimethyl ethers from methylal and trioxane catalyzed by Bronsted acid ionic liquids with different alkyl groups
Wu, Qin; et al, RSC Advances, 2015, 5(71), 57968-57974
合成路线:1 步
反应条件:
参考文献:
A green way to synthesize lubricating ester oils: The esterification of pentaerythrotol with fatty acids at stoichiometric ratio over [BHSO3MMIm]+[HSO4]-/SiO2
Wang, Yanan; et al, Catalysis Communications, 2018, 111, 21-25
合成路线:1 步
反应条件:
参考文献:
A green way to synthesize lubricating ester oils: The esterification of pentaerythrotol with fatty acids at stoichiometric ratio over [BHSO3MMIm]+[HSO4]-/SiO2
Wang, Yanan; et al, Catalysis Communications, 2018, 111, 21-25

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