4',5'-Dibromofluorescein

Base Information

• Chemical Name: 4',5'-Dibromofluorescein
• CAS No.: 596-03-2
• Deprecated CAS: 56136-34-6,342043-93-0,342043-93-0
• Molecular Formula: C20H10 Br2 O5
• Molecular Weight: 490.104
• Hs Code.: 2932999099
• European Community (EC) Number: 209-876-0
• UNII: 5P3H5X9X4Q
• DSSTox Substance ID: DTXSID7024904
• Nikkaji Number: J69.734F
• Wikidata: Q27262672
• NCI Thesaurus Code: C71654
• ChEMBL ID: CHEMBL3561473
• Mol file: 596-03-2.mol

Synonyms:4,5-dibromofluorescein;DBF cpd

Chemical Property of 4',5'-Dibromofluorescein

Chemical Property:

• Appearance/Colour: Orange Powder.
• Vapor Pressure: 0Pa at 25℃
• Melting Point: 270-273 °C(lit.)
• Refractive Index: 1.5010 (estimate)
• Boiling Point: 633.7 °C at 760 mmHg
• PKA: 8.14±0.20(Predicted)
• Flash Point: 337 °C
• PSA: 75.99000
• Density: 2.1 g/cm³
• LogP: 5.19080
• Storage Temp.: Sealed in dry,Room Temperature
• Water Solubility.: 153.49μg/L at 25℃
• XLogP3: 4.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 0
• Exact Mass: 489.88745
• Heavy Atom Count: 27
• Complexity: 585

Purity/Quality:

99.9% ^*data from raw suppliers

4'',5''-Dibromofluorescein ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi,T
• Statements: 36-25-36/37/38
• Safety Statements: 22-24/25-45-36-26

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C(=O)OC23C4=C(C(=C(C=C4)O)Br)OC5=C3C=CC(=C5Br)O
• Uses: 4'',5''-Dibromofluorescein is a stain with an absorption maximum of 450 nm. Dyes and metabolites, Environmental Testing

Technology Process of 4',5'-Dibromofluorescein

There total 7 articles about 4',5'-Dibromofluorescein 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: 70.0%

fluorescein disodium salt (518-47-8) → 4',5'-dibromofluorescein (596-03-2)

Guidance literature:

With N-Bromosuccinimide; acetic acid; at 20 - 80 ℃; for 2h;

DOI:10.3762/bjoc.13.52

Reference yield: 63.0%

fluorescein (2321-07-5,126605-73-0) → 4',5'-dibromofluorescein (596-03-2)

Guidance literature:

With N-Bromosuccinimide; In methanol; at 0 - 20 ℃; for 2h;

DOI:10.1002/chem.202005203

Reference yield:

→ 4',5'-dibromofluorescein (596-03-2)

Guidance literature:

With bromine; acetic acid;

upstream raw materials:

fluorescein

phthalic anhydride

2-(2,4-dihydroxybenzoyl)benzoic acid

recorcinol

Downstream raw materials:

2',4',5'-tribromofluorescein

4',5'-dibromo-3',6'-dihydroxy-2',7'-diiodo-spiro[phthalan-1,9'-xanthen]-3-one

2,7-dinitro-4,5-dibromofluorescein

Refernces

• 1、 Benkovics, Gábor,Afonso, Damien,Darcsi, András,Béni, Szabolcs,Conoci, Sabrina,Fenyvesi, éva,Szente, Lajos,Malanga, Milo,Sortino, Salvatore. "Novel β-cyclodextrin-eosin conjugates". supporting information. p. 543 - 551. Retrieved 2017/03/29.