Bromothymol Blue

Base Information

• Chemical Name: Bromothymol Blue
• CAS No.: 76-59-5
• Deprecated CAS: 187674-42-6,27459-90-1,519-49-3,392711-47-6,734522-99-7,1007629-44-8,1017792-00-5,1020714-56-0,1190126-34-1,1202965-59-0,1007629-44-8,1017792-00-5,1020714-56-0,1190126-34-1,1202965-59-0,27459-90-1,392711-47-6,519-49-3,734522-99-7
• Molecular Formula: C27H28Br2O5S
• Molecular Weight: 624.39
• Hs Code.: 29349990
• European Community (EC) Number: 200-971-2
• NSC Number: 7819
• UNII: VGU4LM0H96
• DSSTox Substance ID: DTXSID3058799
• Nikkaji Number: J4.180G
• Wikipedia: Bromothymol_blue
• Wikidata: Q407506
• NCI Thesaurus Code: C47423
• ChEMBL ID: CHEMBL3392578
• Mol file: 76-59-5.mol

Synonyms:Bromothymolblue (6CI);Phenol, 4,4'-(3H-2,1-benzoxathiol-3-ylidene)bis[2-bromo-3-methyl-6-(1-methylethyl)-,S,S-dioxide;Thymol, 6,6'-(3H-2,1-benzoxathiol-3-ylidene)bis[2-bromo-,S,S-dioxide (8CI);3,3'-Dibromothymolsulfonphthalein;3,3'-Dibromothymolsulfophthalein;Bromthymolblue;Dibromothymolsulfophthalein;NSC 7819;

Chemical Property of Bromothymol Blue

Chemical Property:

• Appearance/Colour: Pale purple crystalline powder
• Vapor Pressure: 5.5E-17mmHg at 25°C
• Melting Point: 204 °C
• Refractive Index: 1.634
• Boiling Point: 614.3 °C at 760 mmHg
• PKA: 7.0, 7.1(at 25℃)
• Flash Point: 325.3 °C
• PSA: 92.21000
• Density: 1.542 g/cm³
• LogP: 8.57800
• Storage Temp.: Store at RT.
• Solubility.: Solubility Sparingly soluble in water, benzene; soluble in ethan
• Water Solubility.: slightly soluble
• XLogP3: 7.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 624.00037
• Heavy Atom Count: 35
• Complexity: 818

Purity/Quality:

99.8 % ^*data from raw suppliers

Bromothymol Blue ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 10-41-36/37/38-20/21/22
• Safety Statements: 24/25-39-26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Dyes -> Indicator Dyes
• Canonical SMILES: CC1=C(C=C(C(=C1Br)O)C(C)C)C2(C3=CC=CC=C3S(=O)(=O)O2)C4=C(C(=C(C(=C4)C(C)C)O)Br)C
• Description: Bromothymol blue is a pH indicator for weak acids and bases. In neutral solution, it appears bluish-green. At pH above 7.6 it appears blue, and at pH below 6.0 it appears yellow.Bromothymol blue (BTB) is an anionic dye. It can be protonated or deprotonated to generate yellow or blue. BTB helps to make ion-pair complex, that is used to identify several pharmaceutical compounds with the help of extractive spectrophotometric methods.
• Uses: Bromothymol blue is a chemical indicator for weak acids and bases. Bromothymol blue is mostly used in measuring substances that would have relatively low acidic or basic levels (near a neutral pH). It's often used in pools, fish tanks, or measuring the presence of carbonic acid in a liquid.Bromothymol Blue is a sulfonated hydroxyquinone in acidic solutions. In alkaline solutions, it is present as a dianion that is blue with a larger conjugated system than the yellow hydroxyquinone. Both forms are lipophilic. It is also known as bromthymol blue or dibromothymolsulfonphthalein. Bromothymol Blue is a pH indicator used for measuring pH around 7 in pools and fish tanks. It operates in the pH range 6.0 to 7.6 due to the presence of an electron withdrawing and donating groups like bromine atoms and alkyl substitutents respectively. In the laboratory, it is used as a biological slide stain as well as used in obstetrics for detecting premature rupture of membranes. Further, it is used for the observation of photosynthetic activities and a respiratory indicator. In addition to this, it is used to define cell walls or nuclei under the microscope.

Technology Process of Bromothymol Blue

There total 7 articles about Bromothymol Blue 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:

thymol blue (76-61-9) → bromothymol blue (76-59-5)

Guidance literature:

With bromine; acetic acid;

Reference yield:

thymol (89-83-8) → bromothymol blue (76-59-5)

Guidance literature:

Multi-step reaction with 2 steps

1: zinc chloride / 100 - 110 °C

2: glacial acetic acid; bromine

With bromine; acetic acid; zinc(II) chloride;

Reference yield:

2-[Bis-(3-bromo-4-hydroxy-5-isopropyl-2-methyl-phenyl)-methyl]-benzenesulfonic acid; compound with triethyl-amine → bromothymol blue (76-59-5) + triethylamine (121-44-8)

Guidance literature:

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

upstream raw materials:

thymol blue

bromine

acetic acid

thymol

Downstream raw materials:

C₂₇H₂₈Br₂O₅S*C₁₁H₁₂N₂O

Refernces

• 1、 Grummt, U.-W.. "Kinetic Analysis of the Intermediate Sultone Formation". . p. 910 - 916. Retrieved 2007/10/02.