Sodium 3,5-dichloro-2-hydroxybenzenesulfonate

Base Information

• Chemical Name: Sodium 3,5-dichloro-2-hydroxybenzenesulfonate
• CAS No.: 54970-72-8
• Molecular Formula: C6H3Cl2NaO4S
• Molecular Weight: 265.049
• Hs Code.: 29089000
• European Community (EC) Number: 259-416-8
• DSSTox Substance ID: DTXSID10203505
• Mol file: 54970-72-8.mol

Synonyms:DHBS;dibutyldihydrostilbestrol;dibutyldihydrostilboestrol;dihydrodibutylstilbestrol;dihydrodibutylstilbestrol, (alpha,alpha)-isomer;dihydrodibutylstilbestrol, (R*,R*)-(+-)-isomer;dihydrodibutylstilbestrol, (R*,S*)-isomer

Chemical Property of Sodium 3,5-dichloro-2-hydroxybenzenesulfonate

Chemical Property:

• Appearance/Colour: white to off-white powder
• Melting Point: >300 °C
• PSA: 85.81000
• LogP: 2.68390
• Storage Temp.: Store at RT.
• Sensitive.: Hygroscopic
• Solubility.: H2O: 50 mg/mL, clear, colorless
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 263.9026794
• Heavy Atom Count: 14
• Complexity: 278

Purity/Quality:

98.0% ^*data from raw suppliers

Sodium 3,5-Dichloro-2-hydroxybenzenesulfonate [for Biochemical Research] >99.0%(T) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/38-36/37/38
• Safety Statements: 24/25-36-26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C=C(C(=C1S(=O)(=O)[O-])O)Cl)Cl.[Na+]
• Uses: Used in conjunction with 4-aminoantipyrine (4-AAP) and hydrogen peroxide (H2O2) for chromogenic quantitation of peroxidase in coupled enzymatic reactions. Component of Trinder reagent for use with peroxidase to measure generation of hydrogen peroxide in automated systems.

Technology Process of Sodium 3,5-dichloro-2-hydroxybenzenesulfonate

There total 3 articles about Sodium 3,5-dichloro-2-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: 77.0%

3,5-dichloro-2-hydroxybenzenesulfonyl chloride (23378-88-3) → sodium 3,5-dichloro-2-hydroxybenzene sulfonate (54970-72-8)

Guidance literature:

With sodium hydrogencarbonate;

DOI:10.1021/ac00227a021

Reference yield: 68.0%

2,4-dichlorophenol (120-83-2,40477-79-0) → sodium 3,5-dichloro-2-hydroxybenzene sulfonate (54970-72-8)

Guidance literature:

With chlorosulfonic acid; thionyl chloride; sulfuric acid; In dichloromethane; at 0 - 40 ℃; for 12h; Reagent/catalyst; Large scale;

Reference yield:

3,5-dichloro-2-hydroxybenzenesulfonyl chloride (23378-88-3) → Sodium; 3,5-dichloro-2-hydroxy-benzenesulfinate (125927-96-0) + sodium 3,5-dichloro-2-hydroxybenzene sulfonate (54970-72-8)

Guidance literature:

With sodium hydrogencarbonate; sodium sulfite; In water; at 25 ℃; for 3h; Mechanism; other temperature, other times, other solvent;

DOI:10.1021/jo00295a062

upstream raw materials:

3,5-dichloro-2-hydroxybenzenesulfonyl chloride

2,4-dichlorophenol

Downstream raw materials:

[C₆H₂(3,5-Cl₂)(2-OTl)(SO₃Na)]

Refernces

• 1、 Field, Lamar,Lee, Chew. "Sulfinic Acids and Related Compounds. 24. Monothioquinone S,S-Dioxides and Their Relation to Convergent Syntheses Involving Hydroxyarenesulfonyl Chlorides". . p. 2558 - 2563. Retrieved 2007/10/02.