C.I. Fluorescent brightening agent 28

Base Information

• Chemical Name: C.I. Fluorescent brightening agent 28
• CAS No.: 4404-43-7
• Deprecated CAS: 742056-17-3
• Molecular Formula: C40H44N12O10S2
• Molecular Weight: 916.996
• Hs Code.: 3204200000
• European Community (EC) Number: 224-073-5,224-548-7
• UNII: 7S9P0Y4313
• Wikidata: Q27121661,Q27268792
• Metabolomics Workbench ID: 57299
• ChEMBL ID: CHEMBL1256580
• Mol file: 4404-43-7.mol

Synonyms:2,2'-stilbenedisulfonic acid, 4,4'-bis((4-anilino-6-(bis(2-hydroxyethyl)amino)-s-triazin-2-yl)amino)-;4,4'-bis((4-anilino-6-(bis(2-hydroxyethyl)amino)-1,3,5-triazin-2-yl)amino)stilbene-2,2'-disulfonic acid;4,4'-bis(2-anilino-4-(bis(hydroxyethyl)amino)-s-triazin-6-ylamino)-2,2'-stilbenedisulfonic acid;benzenesulfonic acid, 2,2'-(1,2-ethenediyl)bis(5-((4-(bis(2-hydroxyethyl)amino)-6-(phenylamino)-1,3,5-triazin-2-yl)amino)-;C.I. Fluorescent Brightening Agent 28;calcofluor white;calcofluor white M 2R;calcofluor white M2R;calcofluor white ST;ci fluorescent brightening agent 28;fluorescent brightener 28 free acid;Tinopal LPW

Chemical Property of C.I. Fluorescent brightening agent 28

Chemical Property:

• Appearance/Colour: Yellow powder
• Vapor Pressure: 0Pa at 25℃
• Melting Point: 290oC
• Refractive Index: 1.744
• Boiling Point: 1311℃[at 101 325 Pa]
• PKA: -1.28±0.50(Predicted)
• PSA: 338.36000
• Density: 1.598 g/cm³
• LogP: 5.73040
• Storage Temp.: Store at RT.
• Water Solubility.: 80g/L at 25℃
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 10
• Hydrogen Bond Acceptor Count: 22
• Rotatable Bond Count: 22
• Exact Mass: 916.27447799
• Heavy Atom Count: 64
• Complexity: 1490

Purity/Quality:

99.9% ^*data from raw suppliers

Fluorescent Brightener 28 ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Dyes -> Carbocyanine Dyes
• Canonical SMILES: C1=CC=C(C=C1)NC2=NC(=NC(=N2)N(CCO)CCO)NC3=CC(=C(C=C3)C=CC4=C(C=C(C=C4)NC5=NC(=NC(=N5)NC6=CC=CC=C6)N(CCO)CCO)S(=O)(=O)O)S(=O)(=O)O
• Isomeric SMILES: C1=CC=C(C=C1)NC2=NC(=NC(=N2)N(CCO)CCO)NC3=CC(=C(C=C3)/C=C/C4=C(C=C(C=C4)NC5=NC(=NC(=N5)NC6=CC=CC=C6)N(CCO)CCO)S(=O)(=O)O)S(=O)(=O)O
• Uses: Fluorescent Brightener 28 (Technical Grade) is used for the staining of fungi and as a viability stain. Dyes and metabolites.

Technology Process of C.I. Fluorescent brightening agent 28

There total 3 articles about C.I. Fluorescent brightening agent 28 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:

C42H44N14O10S2(2-)*2Na(1+) + triethanolamine (102-71-6,64114-46-1) + benzenesulfonic acid, 2,2'-(1,2-ethenediyl)bis[5-[4-[bis(2-hydroxyethyl)amino]-6-(phenylamino)-1,3,5-triazin-2-yl]amino]-, disodium salt → C42H46N14O10S2 (66085-71-0) + 2C6H15NO3*C40H44N12O10S2 + 2C6H15NO3*C42H46N14O10S2 + fluorescent brightener 28 (4404-43-7)

Guidance literature:

C₄₂H₄₄N₁₄O₁₀S₂^(2-)*2Na⁽¹⁺⁾; triethanolamine; With hydrogenchloride; In water; at 60 ℃; for 18.3h;

benzenesulfonic acid, 2,2'-(1,2-ethenediyl)bis[5-[4-[bis(2-hydroxyethyl)amino]-6-(phenylamino)-1,3,5-triazin-2-yl]amino]-, disodium salt; In water; at 80 - 85 ℃;

Reference yield:

6,6'-(ethene-1,2-diyl)bis(3-((4-chloro-6-(phenylamino)-1,3,5-triazin-2-yl)amino)benzenesulfonic acid)disodium salt → C41H45N13O10S2 + C42H46N14O10S2 (66085-71-0) + fluorescent brightener 28 (4404-43-7)

Guidance literature:

With N-(2-hydroxy-ethyl)-glycine amide; 2,2'-iminobis[ethanol]; In water; for 4h; pH=8.5 - 9; Heating / reflux;

Reference yield:

→ 2C6H15NO3*C40H44N12O10S2 + fluorescent brightener 28 (4404-43-7)

Guidance literature:

upstream raw materials:

triethanolamine

Refernces