Calmagite

Base Information

• Chemical Name: Calmagite
• CAS No.: 3147-14-6
• Molecular Formula: C17H14N2O5S
• Molecular Weight: 358.375
• Hs Code.: 29270000
• European Community (EC) Number: 221-563-0
• NSC Number: 299391
• UNII: 0A3KVV9HZC
• DSSTox Substance ID: DTXSID8062866
• Nikkaji Number: J2.174A
• Wikipedia: Calmagite
• Wikidata: Q4353551
• ChEMBL ID: CHEMBL122867,CHEMBL1980402
• Mol file: 3147-14-6.mol

Synonyms:calmagite

Chemical Property of Calmagite

Chemical Property:

• Appearance/Colour: dark brown crystalline powder
• Melting Point: 330 °C(lit.)
• Refractive Index: 1.682
• PKA: 8.1(at 25℃)
• PSA: 127.93000
• Density: 1.485 g/cm³
• LogP: 5.30230
• Storage Temp.: Store at RT.
• Solubility.: Solubility Soluble in water, ethanol
• Water Solubility.: Soluble in water.
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 3
• Exact Mass: 358.06234272
• Heavy Atom Count: 25
• Complexity: 590

Purity/Quality:

98%,99%, ^*data from raw suppliers

Calmagite ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Dyes -> Azo Dyes
• Canonical SMILES: CC1=CC(=C(C=C1)O)N=NC2=C(C=C(C3=CC=CC=C32)S(=O)(=O)O)O
• Uses: As indicator in titration of Ca or Mg with EDTA. Calmagite is widely used in analytical chemistry as an indicator in the titration of calcium or magnesium with ethylenediaminetetraacetic acid (EDTA). It is also useful in the determination of magnesium in biological materials. Used for the determination of magnesium in biological materials.

Technology Process of Calmagite

There total 1 articles about Calmagite 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:

→ 3-hydroxy-4-(2-hydroxy-5-methylphenyldiazenyl)naphthalene-1-sulfonic acid (3147-14-6)

Guidance literature:

diazot.1-Amino-2-hydroxynaphthalin-4-sulfonsaeure, p-Kresol;

DOI:10.1021/ac60165a022

Reference yield: 99.0%

2-(1H,1H,2H,2H-perfluorooctylthio)-1-methylimidazole + 3-hydroxy-4-(2-hydroxy-5-methylphenyldiazenyl)naphthalene-1-sulfonic acid (3147-14-6) → 2-(1H,1H,2H,2H-perfluorooctylthio)-1-methylimidazolium 3-hydroxy-4-[2-(2-hydroxy-5-methylphenyl)diazenyl]-naphthalene-1-sulfonate

Guidance literature:

In ethanol; at 20 ℃; for 0.5h; Sonication;

DOI:10.1039/c7gc00571g

Reference yield: 73.0%

3-hydroxy-4-(2-hydroxy-5-methylphenyldiazenyl)naphthalene-1-sulfonic acid (3147-14-6) + methyl iodide (74-88-4) → 1-Methoxy-calmagit

Guidance literature:

With potassium carbonate; In acetone; for 7h; Reflux;

DOI:10.1039/c3dt32873b