Sodium alpha-(3-bromo-5-isopropyl-4-oxo-2-methyl-2,5-cyclohexadienylidene)-2-(3-bromo-4-hydroxy-5-isopropyl-2-methylphenyl)toluenesulphonate

Base Information

• Chemical Name: Sodium alpha-(3-bromo-5-isopropyl-4-oxo-2-methyl-2,5-cyclohexadienylidene)-2-(3-bromo-4-hydroxy-5-isopropyl-2-methylphenyl)toluenesulphonate
• CAS No.: 34722-90-2
• Deprecated CAS: 1017687-43-2,1202866-89-4,33551-93-8,223272-01-3,271766-05-3,1190057-84-1,1007478-27-4
• Molecular Formula: C27H27Br2NaO5S
• Molecular Weight: 646.36
• Hs Code.: 29349990
• European Community (EC) Number: 252-169-7
• DSSTox Substance ID: DTXSID8067866
• Mol file: 34722-90-2.mol

Synonyms:Bromothymol Blue sodium salt;34722-90-2;Bromothymol Blue, sodium salt;Bromothymolbluesodiumsalt;Sodium alpha-(3-bromo-5-isopropyl-4-oxo-2-methyl-2,5-cyclohexadienylidene)-2-(3-bromo-4-hydroxy-5-isopropyl-2-methylphenyl)toluenesulphonate;Bromthymol blue,sodium salt;SCHEMBL148413;DTXSID8067866;AKOS030228410;FT-0623264;sodium (Z)-2-((3-bromo-4-hydroxy-5-isopropyl-2-methylphenyl)(3-bromo-5-isopropyl-2-methyl-4-oxocyclohexa-2,5-dienylidene)methyl)benzenesulfonate

Chemical Property of Sodium alpha-(3-bromo-5-isopropyl-4-oxo-2-methyl-2,5-cyclohexadienylidene)-2-(3-bromo-4-hydroxy-5-isopropyl-2-methylphenyl)toluenesulphonate

Chemical Property:

• Appearance/Colour: Dark greenish gold crystalline powder
• Melting Point: 200-202 °C
• PKA: 7.0, 7.1(at 25℃)
• PSA: 102.88000
• Density: 0.99 g/cm³
• LogP: 8.20730
• Storage Temp.: Store at RT.
• Solubility.: Solubility Soluble in water, ethanol
• Water Solubility.: SOLUBLE
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 645.98232
• Heavy Atom Count: 36
• Complexity: 1040

Purity/Quality:

98%,99%, ^*data from raw suppliers

Bromothymol Blue, Sodium Salt, ACS ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Dyes -> Di- and Triaryl Dyes
• Canonical SMILES: CC1=C(C=C(C(=C1Br)O)C(C)C)C(=C2C=C(C(=O)C(=C2C)Br)C(C)C)C3=CC=CC=C3S(=O)(=O)[O-].[Na+]
• Uses: It is employed as a pH indicator which is yellow at pH ? 6.0 and blue at pH ? 7.6. It finds its major application in lithium battery, textiles and antagonists. Suitable for use:In preparations of pH indicator solutionsIn phospholipid staining on tissues and cells prepared on microscopy slides Bromothymol Blue sodium salt has been used as a pH indicator in the yeast growth media (YPD, yeast extract peptone dextrose).