Cas no 14996-02-2 (Sulfate, hydrogen(8CI,9CI))

Sulfate, hydrogen(8CI,9CI) structure
Sulfate, hydrogen(8CI,9CI) structure
Product Name:Sulfate, hydrogen(8CI,9CI)
CAS No:14996-02-2
MF:HO4S
MW:97.0705392360687
CID:173309
PubChem ID:61778
Update Time:2025-04-19

Sulfate, hydrogen(8CI,9CI) Chemical and Physical Properties

Names and Identifiers

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

Computed Properties

  • Exact Mass: 96.95960
  • Monoisotopic Mass: 96.95955468g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 5
  • Rotatable Bond Count: 0
  • Complexity: 76
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: -1.5
  • Topological Polar Surface Area: 85.8?2

Experimental Properties

  • PSA: 85.81000
  • LogP: 0.08540

Sulfate, hydrogen(8CI,9CI) Production Method

Production Method 1

Reaction Conditions
1.1 Solvents: Methanol ,  Water ;  60 - 80 min, 0 - 5 °C
Reference
A process for the preparation of isavuconazonium sulfate
, World Intellectual Property Organization, , ,

Production Method 2

Reaction Conditions
1.1 Reagents: Sodium bisulfate Solvents: Dichloromethane ,  Water ;  0.5 - 1 h, 0 - 10 °C
Reference
Preparation of isavuconazonium sulfate
, World Intellectual Property Organization, , ,

Production Method 3

Reaction Conditions
1.1 Reagents: Sulfuric acid Solvents: Ethanol ,  Water ;  2 h, rt
Reference
Preparation of isavuconazole sulfate
, China, , ,

Production Method 4

Reaction Conditions
1.1 Reagents: Sulfuric acid Solvents: Ethyl acetate ,  Water ;  0 - 10 °C; 10 °C → 30 °C; 2 h, 30 °C
Reference
Preparation of isavuconazonium monosulfate by bisulfate/sulfate anion exchange technology
, China, , ,

Production Method 5

Reaction Conditions
1.1 Reagents: Sulfuric acid Solvents: Ethyl acetate ,  Water ;  0 - 10 °C; 0 °C → 60 °C; 2 h, 60 °C
Reference
Method for preparing isavuconazonium sulfate by oxidation-reduction reaction
, China, , ,

Production Method 6

Reaction Conditions
1.1 Reagents: Sodium iodide Solvents: Acetonitrile ;  rt → 70 °C; 3 h, 70 °C
1.2 Reagents: Hydrochloric acid Solvents: Ethyl acetate ;  rt; 2 h, rt
1.3 Reagents: Sodium bicarbonate Solvents: Dichloromethane ,  Water ;  0 °C; pH 6.5, < 5 °C
1.4 Solvents: Dichloromethane ,  Water ;  1 h, 15 °C
Reference
Method for preparing antifungal drug isavuconazonium sulfate
, China, , ,

Production Method 7

Reaction Conditions
1.1 Reagents: Sodium hydroxide ,  Hydrogen Catalysts: Palladium Solvents: Water ;  rt; cooled
1.2 Reagents: Sulfuric acid Solvents: Water
Reference
Preparation of isavuconazonium sulfate
, China, , ,

Production Method 8

Reaction Conditions
Reference
Preparation of isavuconazonium sulfate
, China, , ,

Production Method 9

Reaction Conditions
Reference
Isavuconazonium salts and process for preparing thereof
, World Intellectual Property Organization, , ,

Production Method 10

Reaction Conditions
1.1 Reagents: Hydrogen peroxide Solvents: Methanol
Reference
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

Production Method 11

Reaction Conditions
1.1 Solvents: Toluene ;  10 h, reflux; reflux → rt
1.2 Reagents: Sulfuric acid ;  0 - 2 °C; 40 °C
Reference
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

Production Method 12

Reaction Conditions
1.1 12 h, 80 °C
1.2 Reagents: Sulfuric acid Solvents: Water ;  6 h, 60 °C
Reference
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

Production Method 13

Reaction Conditions
1.1 Reagents: Sulfuric acid ;  overnight, 60 °C
Reference
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

Production Method 14

Reaction Conditions
1.1 12 h, 40 °C
1.2 Reagents: Sulfuric acid Solvents: Water ;  rt; 6 h, 80 °C
Reference
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

Production Method 15

Reaction Conditions
1.1 0 °C; 12 h, rt
2.1 Reagents: Sulfuric acid Solvents: Water ;  0 °C; 24 h, 50 °C
Reference
Polypyrrole nanocomposites doped with functional ionic liquids for high performance supercapacitors
Cao, Peng; et al, New Journal of Chemistry, 2018, 42(5), 3909-3916

Production Method 16

Reaction Conditions
1.1 Reagents: Sulfuric acid ;  2 h
2.1 Reagents: Tetraethoxysilane Solvents: Ethanol ;  10 min, rt; 1 w, rt; 3 w, rt
2.2 Solvents: Ethanol ;  2 h, reflux
Reference
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

Production Method 17

Reaction Conditions
1.1 Solvents: Ethanol ;  2 d
2.1 0 °C; 2 - 3 d, 50 °C
3.1 Reagents: Sulfuric acid ;  0 °C; 1 - 2 d, 50 °C
Reference
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

Production Method 18

Reaction Conditions
1.1 Solvents: Acetone ;  72 h, 25 °C; 72 h, 50 °C
1.2 Reagents: Phosphoric acid ;  rt
Reference
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

Production Method 19

Reaction Conditions
1.1 Reagents: Hydrochloric acid Solvents: Ethyl acetate ;  25 - 30 °C
Reference
Process for the preparation of isavuconazonium sulfate
, India, , ,

Production Method 20

Reaction Conditions
Reference
Crystalline form of isavuconazonium sulfate and a process for its preparation
, India, , ,

Production Method 21

Reaction Conditions
Reference
Preparation of (2-(methylamino)pyridin-3-yl)methanol as intermediate for preparing isavuconazonium sulfate as antifungal agents
, China, , ,

Production Method 22

Reaction Conditions
Reference
Preparation of isavuconazonium sulfate and intermediates thereof
, China, , ,

Production Method 23

Reaction Conditions
1.1 12 h, 80 °C
1.2 Reagents: Sulfuric acid Solvents: Water ;  12 h, 80 °C
Reference
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

Production Method 24

Reaction Conditions
1.1 Reagents: Sulfuric acid Solvents: Toluene ;  rt; 24 h, 80 °C
Reference
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

Production Method 25

Reaction Conditions
1.1 Reagents: Sulfuric acid Solvents: Water ;  12 h, 60 °C
Reference
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),

Production Method 26

Reaction Conditions
1.1 Reagents: Sulfuric acid Solvents: Water ;  rt; 6 h, 80 °C
Reference
Reusable Task-Specific Ionic Liquids for a Clean ε-Caprolactam Synthesis under Mild Conditions
Turgis, Raphael; et al, ChemSusChem, 2010, 3(12), 1403-1408

Production Method 27

Reaction Conditions
1.1 Reagents: Sulfuric acid Solvents: Water ;  0 °C; 24 h, 50 °C
Reference
Polypyrrole nanocomposites doped with functional ionic liquids for high performance supercapacitors
Cao, Peng; et al, New Journal of Chemistry, 2018, 42(5), 3909-3916

Production Method 28

Reaction Conditions
1.1 8 h, heated
1.2 Reagents: Sulfuric acid Solvents: Water ;  8 h, heated
Reference
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

Production Method 29

Reaction Conditions
1.1 Solvents: Toluene ;  24 h, reflux
1.2 Reagents: Sulfuric acid Solvents: Water ;  24 h, 70 °C
Reference
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

Production Method 30

Reaction Conditions
1.1 Solvents: Toluene ;  3 h, 80 °C
1.2 Reagents: Sulfuric acid Solvents: Water ;  2 h, rt
Reference
Synthesis of tributyl citrate using acid ionic liquid as catalyst
Xu, Junming; et al, Process Safety and Environmental Protection, 2010, 88(1), 28-30

Production Method 31

Reaction Conditions
1.1 Reagents: Tetraethoxysilane Solvents: Ethanol ;  10 min, rt; 1 w, rt; 3 w, rt
1.2 Solvents: Ethanol ;  2 h, reflux
Reference
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

Production Method 32

Reaction Conditions
1.1 Solvents: Ethanol ;  2 d, heated
2.1 0 °C; 2 - 3 d, 50 °C
2.2 Reagents: Sulfuric acid ;  0 °C; 1 - 2 d, 50 °C
Reference
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

Production Method 33

Reaction Conditions
1.1 Reagents: Sulfuric acid Solvents: Toluene ;  80 °C
2.1 Reagents: Sulfuric acid
Reference
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

Production Method 34

Reaction Conditions
1.1 1 h, 80 °C
2.1 Reagents: Sulfuric acid ;  2 h
3.1 Reagents: Tetraethoxysilane Solvents: Ethanol ;  10 min, rt; 1 w, rt; 3 w, rt
3.2 Solvents: Ethanol ;  2 h, reflux
Reference
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

Production Method 35

Reaction Conditions
1.1 Reagents: Sodium ethoxide ;  8 h, heated
2.1 Solvents: Ethanol ;  2 d, heated
3.1 0 °C; 2 - 3 d, 50 °C
3.2 Reagents: Sulfuric acid ;  0 °C; 1 - 2 d, 50 °C
Reference
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

Production Method 36

Reaction Conditions
1.1 Reagents: Sodium ethoxide ;  8 h
2.1 Solvents: Ethanol ;  2 d
3.1 0 °C; 2 - 3 d, 50 °C
4.1 Reagents: Sulfuric acid ;  0 °C; 1 - 2 d, 50 °C
Reference
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

Production Method 37

Reaction Conditions
1.1 Solvents: Acetone ;  72 h, 25 °C; 72 h, 50 °C
1.2 rt
Reference
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

Sulfate, hydrogen(8CI,9CI) Raw materials

Sulfate, hydrogen(8CI,9CI) Preparation Products

Sulfate, hydrogen(8CI,9CI) Related Literature

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