Tetrabromophenolphthalein ethyl ester

Base Information

• Chemical Name: Tetrabromophenolphthalein ethyl ester
• CAS No.: 1176-74-5
• Deprecated CAS: 117882-09-4,136963-99-0
• Molecular Formula: C22H14 Br4 O4
• Molecular Weight: 661.967
• Hs Code.: 2918990090
• European Community (EC) Number: 214-645-2
• NSC Number: 16214
• UNII: 6D91NS781O
• DSSTox Substance ID: DTXSID5044520
• Nikkaji Number: J203.434D
• Wikidata: Q27264570
• ChEMBL ID: CHEMBL3187347
• Mol file: 1176-74-5.mol

Synonyms:TBPPE;tetrabromophenolphthalein ethyl ester;tetrabromophenolphthalein ethyl ester, potassium salt

Chemical Property of Tetrabromophenolphthalein ethyl ester

Chemical Property:

• Vapor Pressure: 5.87E-16mmHg at 25°C
• Melting Point: 208-211oC
• Refractive Index: 1.5000 (estimate)
• Boiling Point: 619.9°C at 760 mmHg
• PKA: 6.25±0.40(Predicted)
• Flash Point: 328.7°C
• PSA: 63.60000
• Density: 1.9236 (rough estimate)
• LogP: 7.03610
• Storage Temp.: -20°C
• XLogP3: 7.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 661.75846
• Heavy Atom Count: 30
• Complexity: 752

Purity/Quality:

99.5% ^*data from raw suppliers

3′,3?″,5′,5?″-Tetrabromophenolphthalein ethyl ester AldrichCPR ^*data from reagent suppliers

Safty Information:

• Safety Statements: 22-24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCOC(=O)C1=CC=CC=C1C(=C2C=C(C(=O)C(=C2)Br)Br)C3=CC(=C(C(=C3)Br)O)Br
• Uses: 3′,3″,5′,5″-Tetrabromophenolphthalein ethyl ester (TBPE) is an anionic dye used as a counter ion in the spectrophotometric determination of cationic surfactants. TBPE is also used in the spectrometric determination of aliphatic primary, secondary and tertiary amines.

Technology Process of Tetrabromophenolphthalein ethyl ester

There total 1 articles about Tetrabromophenolphthalein ethyl ester 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:

→ tetrabromophenolphthalein ethyl ester (1176-74-5)

Guidance literature:

With potassium hexacyanoferrate(III); man saeuert mit Essigsaeure an;

Reference yield:

tetrabromophenolphthalein ethyl ester (1176-74-5) → 2-(3,5,3',5'-tetrabromo-4,4'-dihydroxy-benzhydryl)-benzoic acid (28818-25-9)

Guidance literature:

Reference yield:

histamine (51-45-6) + tetrabromophenolphthalein ethyl ester (1176-74-5) + copper dichloride → Cu(2+)*H2NCH2CH2C3H3N2*3C22H13O4Br4(1-)=Cu(H2NCH2CH2C3H3N2)(C22H13O4Br4)3(1-)

Guidance literature:

In dichloromethane; water; soln. of histamine, CuCl2 (molar raio 1:3) and TBPE (5-fold molar ratioto ligand) in water (pH 9.0) was shaken for 5 min with 1,2-dichloroethane, stood for 15 min; org. layer sepd., run into glass tube through filter paper to remove water droplets, EtOH added, dried at reduced pressure for 48 h; elem. anal.;

DOI:10.1246/bcsj.55.3464

Downstream raw materials:

2-[(3,5-Dibromo-4-hydroxy-phenyl)-(3,5-dibromo-4-oxo-cyclohexa-2,5-dienylidene)-methyl]-benzoic acid ethyl ester; compound with (2-benzhydryloxy-ethyl)-dimethyl-amine

2-[(3,5-Dibromo-4-hydroxy-phenyl)-(3,5-dibromo-4-oxo-cyclohexa-2,5-dienylidene)-methyl]-benzoic acid ethyl ester; compound with triethyl-amine

2-(3,5,3',5'-tetrabromo-4,4'-dihydroxy-benzhydryl)-benzoic acid