Bromocresol purple

Base Information

• Chemical Name: Bromocresol purple
• CAS No.: 115-40-2
• Deprecated CAS: 518-50-3,99792-85-5,644950-41-4,644950-41-4,99792-85-5
• Molecular Formula: C21H16Br2O5S
• Molecular Weight: 540.229
• Hs Code.: 2934.90
• European Community (EC) Number: 204-087-8
• NSC Number: 374134
• UNII: 201C22C3EC
• DSSTox Substance ID: DTXSID3059428
• Nikkaji Number: J5.267A
• Wikipedia: Bromocresol_purple
• Wikidata: Q425039
• Mol file: 115-40-2.mol

Synonyms:Bromcresol Purple;Bromocresol Purple;Purple, Bromcresol;Purple, Bromocresol

Chemical Property of Bromocresol purple

Chemical Property:

• Appearance/Colour: slightly yellow crystalline powder
• Vapor Pressure: 1.59E-14mmHg at 25°C
• Melting Point: 245 °C
• Refractive Index: 1.694
• Boiling Point: 590.2 °C at 760 mmHg
• PKA: 6.21, 6.3, 6.4(at 25℃)
• Flash Point: 310.7 °C
• PSA: 92.21000
• Density: 1.772 g/cm³
• LogP: 6.33120
• Storage Temp.: Store at RT.
• Solubility.: ethanol: soluble1mg/mL
• Water Solubility.: practically insoluble
• XLogP3: 5.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 539.90647
• Heavy Atom Count: 29
• Complexity: 680

Purity/Quality:

99.8 % ^*data from raw suppliers

Bromocresol Purple ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi,Xn
• Hazard Codes: Xi,Xn
• Statements: 36/37/38-10-20/21/22
• Safety Statements: 26-36-37/39-16

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Dyes -> Indicator Dyes
• Canonical SMILES: CC1=CC(=CC(=C1O)Br)C2(C3=CC=CC=C3S(=O)(=O)O2)C4=CC(=C(C(=C4)C)O)Br
• Uses: As indicator, pH 5.2 yellow; pH 6.8 purple. It is used as a pH indicator and to measure serum albumin concentrations. It is used as a pH indicator (5.2-6.8 : yellow to blue-purple) and also used in spectrophotometric determination of serum-albumin. Bromocresol purple has been used as a pH indicator in the yeast culture media. It has been used as a pH indicator in the culture media of Geobacillus stearothermophilus subsp. Calidolactis.

Technology Process of Bromocresol purple

There total 1 articles about Bromocresol purple 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:

2-[Bis-(3-bromo-4-hydroxy-5-methyl-phenyl)-methyl]-benzenesulfonic acid; compound with triethyl-amine → bromcresol purple (115-40-2) + triethylamine (121-44-8)

Guidance literature:

In acetonitrile; at 25 ℃; Equilibrium constant; other solvents;

Reference yield: 65.0%

furan-3-boronic acid (55552-70-0) + bromcresol purple (115-40-2) → C29H22O7S

Guidance literature:

With bis-triphenylphosphine-palladium(II) chloride; potassium phosphate; In water; N,N-dimethyl-formamide; at 100 ℃; Inert atmosphere;

Reference yield: 57.0%

4-carboxyphenylboronic acid (14047-29-1) + bromcresol purple (115-40-2) → 5'-[3-(3-bromo-4-hydroxy-5-methyl-phenyl)-1,1-dioxo-1,3-dihydro-1λ6-benzo[c][1,2]oxathiol-3-yl]-2'-hydroxy-3'-methyl-biphenyl-4-carboxylic acid

Guidance literature:

With potassium phosphate; cross-linked resin-captured palladium; In water; at 120 ℃; for 0.166667h; microwave irradiation;

DOI:10.1021/ja057480k

Refernces