Fluorone black

Base Information

• Chemical Name: Fluorone black
• CAS No.: 975-17-7
• Molecular Formula: C19H12O5
• Molecular Weight: 320.301
• Hs Code.: 29329995
• European Community (EC) Number: 213-550-3
• NSC Number: 66463,2608
• UNII: 73861AE9L7
• DSSTox Substance ID: DTXSID2061355
• Nikkaji Number: J208.974B
• Wikidata: Q27266154
• ChEMBL ID: CHEMBL375328
• Mol file: 975-17-7.mol

Synonyms:fluorone Black;m-nitrophenylfluorone;phenylfluorone;trimethoxyphenlyfluorone

Chemical Property of Fluorone black

Chemical Property:

• Appearance/Colour: orange to brown-red powder
• Vapor Pressure: 1.3E-17mmHg at 25°C
• Melting Point: 300 °C
• Refractive Index: 1.791
• Boiling Point: 646.8 °C at 760 mmHg
• PKA: 7.57±0.20(Predicted)
• Flash Point: 243.4 °C
• PSA: 90.90000
• Density: 1.59 g/cm³
• LogP: 3.68160
• Storage Temp.: −20°C
• Solubility.: Soluble in chloroform.
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 320.06847348
• Heavy Atom Count: 24
• Complexity: 638

Purity/Quality:

99.9% ^*data from raw suppliers

9-Phenyl-2,3,7-trihydroxy-6-fluorone ^*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 -> Di- and Triaryl Dyes
• Canonical SMILES: C1=CC=C(C=C1)C2=C3C=C(C(=O)C=C3OC4=CC(=C(C=C42)O)O)O
• Uses: Phenylfluorone is an organic reagent for the spectrophotometric determination of some heavy metals. It is used in presence of cetylpyridinium chloride for spectrophotometric determination of copper(II) in blood serum. It is used in the determination of germanium. It is also used to determine molybdenum(VI).

Technology Process of Fluorone black

There total 5 articles about Fluorone black 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: 35.0%

1,2,4-triacetoxybenzene (613-03-6) + benzaldehyde (100-52-7) → fluorone black (975-17-7)

Guidance literature:

With sulfuric acid; In ethanol; water; at 50 ℃; for 96h;

DOI:10.1016/j.molstruc.2008.12.020

Reference yield:

C19H14O6 → fluorone black (975-17-7)

Guidance literature:

In ethanol; water; for 0.333333h; Reflux;

DOI:10.1055/s-2008-1078447

Reference yield:

1,2,4-Trihydroxybenzene (533-73-3) + benzaldehyde (100-52-7) → fluorone black (975-17-7)

Guidance literature:

With ethanol; sulfuric acid; Man macht das Reaktionsgemisch schwach alkalisch und saeuert mit Schwefelsaeure an;

upstream raw materials:

1,2,4-Trihydroxybenzene

benzaldehyde

1,2,4-triacetoxybenzene

Benzotrichlorid

Downstream raw materials:

(EtiPr₂NH)H₂Z

H₄Z(HSO₄)

(Ph₄P)H₂Z*MeOH

Refernces

• 1、 Schrick, Petra,Geick, Klaus,Waldvogel, Siegfried R.. "Reliable synthesis of 9-aryl-substituted 2,6,7-trihydroxyxanthen-3-ones". experimental part. p. 2211 - 2216. Retrieved 2009/04/06.