Sodium 4-hydroxybenzenesulfonate

Base Information

• Chemical Name: Sodium 4-hydroxybenzenesulfonate
• CAS No.: 825-90-1
• Deprecated CAS: 790240-50-5,1185192-75-9,1185192-75-9
• Molecular Formula: C6H5NaO4S
• Molecular Weight: 196.159
• European Community (EC) Number: 212-550-0,249-038-1
• UNII: 95H8X8YVQR
• DSSTox Substance ID: DTXSID8027321
• Wikidata: Q27271793
• Mol file: 825-90-1.mol

Synonyms:sodium 4-hydroxybenzenesulfonate;825-90-1;Sodium p-Phenolsulfonate;Sodium p-hydroxybenzenesulfonate;4-Hydroxybenzenesulfonic acid sodium salt;Monosodium 4-phenolsulfonate;p-Phenolsulfonic Acid Sodium Salt;Benzenesulfonic acid, 4-hydroxy-, monosodium salt;UNII-95H8X8YVQR;95H8X8YVQR;Sodium p-hydroxyphenylsulfonate;DTXSID8027321;p-Hydroxybenzenesulfonic acid, monosodium salt;Sodium 4-hydroxybenzenesulphonate;28469-73-0;Sodium P-phenolsulfonate anhydrous;4-Phenolsulfonic acid, sodium salt;Benzenesulfonic acid, p-hydroxy-, monosodium salt;EINECS 212-550-0;NSC 147483;Sodium 4-hydroxybenzenesulfonate(x:1);4-Hydroxybenzenesulfonic acid, monosodium salt;Benzenesulfonic acid, 4-hydroxy-, sodium salt (1:1);NSC-147483;C6H5NaO4S;sodium 4-hydroxybenzene-1-sulfonate;SODIUM SULFOPHENATE;SCHEMBL125056;DTXCID307321;Sodium phenolsulfonate anhydrous;sodium;4-hydroxybenzenesulfonate;sodium 4-hydroxybenzene sulfonate;4-Phenolsulfonic acid sodium salt;BYMHXIQVEAYSJD-UHFFFAOYSA-M;P-PHENOLSULFONICACIDSODIUMSALT;Tox21_202560;4-hydroxybenzenesulfonate sodium salt;MFCD00044734;AKOS003236944;AKOS015897636;CS-W010605;4-hydroxybenzenesulfonicacid sodium salt;4-hydroxybezenesulfonic acid sodium salt;4-hydroxyphenylsulfonic acid sodium salt;NCGC00260109-01;AS-13614;BP-31159;CAS-825-90-1;4-hydroxybenzene sulphonic acid sodium salt;FT-0618690;P0105;Phenol-4-sulfonic acid sodium salt dihydrate;S0824;EN300-128832;W-104170;Q27271793

Chemical Property of Sodium 4-hydroxybenzenesulfonate

Chemical Property:

• Appearance/Colour: White crystal powder
• Vapor Pressure: 0Pa at 20℃
• Melting Point: >300 °C
• Boiling Point: 350℃[at 101 325 Pa]
• PSA: 85.81000
• Density: 1.574g/cm3
• LogP: 1.37710
• Storage Temp.: Inert atmosphere,Room Temperature
• Solubility.: Methanol (Slightly), Water (Slightly)
• Water Solubility.: 92.4g/L at 20℃
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 195.98062409
• Heavy Atom Count: 12
• Complexity: 212

Purity/Quality:

99.9% ^*data from raw suppliers

4-HydroxybenzenesulfonicAcidSodiumSalt ^*data from reagent suppliers

Safty Information:

• Statements: 36/37/38
• Safety Statements: 26-37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Other Classes -> Benzenesulfonic Acid Derivatives
• Canonical SMILES: C1=CC(=CC=C1O)S(=O)(=O)[O-].[Na+]
• Uses: 4-Hydroxybenzenesulfonic Acid is a useful synthetic intermediate. It is used in the synthesis of difluoromethyl sulfonates. It can be also used to prepare Famphur Oxon (F102330) which is a metabolite of Famphur (F102325), an organophosphate insecticide and pesticide.

Technology Process of Sodium 4-hydroxybenzenesulfonate

There total 6 articles about Sodium 4-hydroxybenzenesulfonate which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

4-dodecylbenzenesulphonate → sodium p-hydroxybenzenesulfonate (825-90-1) + potassium p-carboxybenzenesulfonate (5399-63-3) + sodium 4-acetylbenzenesulfonate (61827-67-6)

Guidance literature:

With iron(III) perchlorate; In water; Quantum yield; Photolysis;

DOI:10.1016/S0045-6535(99)00434-8

Reference yield:

p-hydoroxybenzenesulfonic acid (98-67-9) → sodium p-hydroxybenzenesulfonate (825-90-1)

Guidance literature:

With sodium hydride; In N,N-dimethyl-formamide; at 0 - 20 ℃; for 0.5h; Inert atmosphere;

Reference yield:

4-acetoxybenzenesulfonic acid sodium salt (3885-04-9) → sodium p-hydroxybenzenesulfonate (825-90-1)

Guidance literature:

With potassium chloride; poly(ethyleneimine); In water; at 25 ℃; Rate constant; Mechanism; Product distribution; various pH, aminolysis;

DOI:10.1021/jo9514681

upstream raw materials:

4-acetoxybenzenesulfonic acid sodium salt

phenol

p-hydoroxybenzenesulfonic acid

1-methyl-pyrrolidin-2-one

Downstream raw materials:

Z-Ala-OH 4-sulfenyl ester sodium salt

4-but-2-ynyloxybenzenesulfonyl chloride

(4-but-2-ynyloxy-benzenesulfonylamino)-acetic acid

[(4-but-2-ynyloxy-benzenesulfonyl)-methyl-amino]-acetic acid