Bromothymol Blue

Basic Information

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CAS Number

76-59-5

Molecular Formula

C27H28Br2O5S

Molecular Weight

624.39 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Agricultural Chemicals Pesticides Herbicides

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Melting Point

200-202 °C

Boiling Point

640.2°C at 760 mmHg

Density

1.4668 (estimate)

Flash Point

38 °C

Solubility

Solubility Sparingly soluble in water, benzene; soluble in ethanol, ether; insoluble in petroleum ether

Refractive Index

1.4290 (20 C)

SMILES

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Brc1c(O)c(cc(c1C)C1(OS(=O)(=O)c2c1cccc2)c1cc(C(C)C)c(c(c1C)Br)O)C(C)C

InChI

InChI=1S/C27H28Br2O5S/c1-13(2)17-11-20(15(5)23(28)25(17)30)27(19-9-7-8-10-22(19)35(32,33)34-27)21-12-18(14(3)4)26(31)24(29)16(21)6/h7-14,30-31H,1-6H3

InChIKey

NUHCTOLBWMJMLX-UHFFFAOYSA-N

LogP

7.497240000000006

pKa

7.0, 7.1(at 25℃)

Topological Polar Surface Area

83.83 Å²

Hydrogen Bond Donor/Acceptor

2 / 5

Complexity

818

Safety Information

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Hazard Statement

H226 Flammable liquid and vapor
Flammable liquids

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H340 May cause genetic defects
Germ cell mutagenicity

H360 May damage fertility or the unborn child
Reproductive toxicity

H372 Causes damage to organs through prolonged or repeated exposure
Specific target organ toxicity, repeated exposure

H373 Causes damage to organs through prolonged or repeated exposure
Specific target organ toxicity, repeated exposure

Hazard Class

Class 3 Class 3

Stability

Stable. Incompatible with strong oxidizing agents.

Sensitiveness

Sensitive to moisture

Synonyms & References

English

Bromothymol Blue
3,3-Dibromothymolsulfonephthalein
Bromthymol Blue
BTB
alpha,alpha-bis(5-bromo-4-hydroxy-6-methyl-m-cumenyl)toluene-2,alpha-sultone
dibromothymolsulphonephthalein
3,3-Dibromophenolsulfonephthalein
2-bromo-4-[3-(3-bromo-4-hydroxy-2-methyl-5-propan-2-ylphenyl)-1,1-dioxo-2,1λ<sup>6</sup>-benzoxathiol-3-yl]-3-methyl-6-propan-2-ylphenol
BROMOTHYMOL BLUE INDICATOR
BromothymolBlue,indicator,pure100GR
BromothymolBlue,indicator,pure500GR
3',3''-Dibromothymolsulfonphthalein
BroMothyMol Blue, ACS reagent
Bromothymol Blue, conform to ACS, pure
IND
3',3"-Dibromothymolsulfonephthalein
3',3''-Dibromothymolsulfonephthalein
Dibromothymolsulfophthalein
3,3'-Dibromothymolsulfonphthalein
VGU4LM0H96
NSC7819
NUHCTOLBWMJMLX-UHFFFAOYSA-N
Bromothymol Blue, pure, indicator
Phenol, 4,4'-(3H-2,1-benzoxathiol-3-ylidene)bis(2-bromo-3-methyl-6-(1-met- hylethyl)-, S,S-dioxide
Bromothymol Blue solution, pH 6.0-7.6
4,4'-(3H-2,1-Benzoxathiol-3-ylidene)bis(2-bromo-3-methyl-6-(1-met- hyl

MDL Number

MFCD00005872

Customs Code

29349990

FAQ

What is Bromothymol Blue (CAS: 76-59-5)?

Bromothymol Blue is a pH indicator commonly used to determine acidity or alkalinity in solutions. Its chemical formula is C21H24Br2O5S, and it exhibits a color change from yellow in acidic conditions (pH < 6.0) to blue in basic environments (pH > 7.6). It is a weak acid, water-soluble, and has a molecular weight of 544.3 g/mol. This compound is widely recognized for its role in titration and biological applications due to its sensitivity to pH variations.

What are the main uses of Bromothymol Blue (CAS: 76-59-5)?

Bromothymol Blue is primarily used in pharmaceuticals for pH testing of solutions, in the food industry to assess the pH of products like beverages, and in research for monitoring environmental and biological pH changes. It is also employed in industrial settings to check wastewater pH and in aquariums to test water quality. Its applications are broad, leveraging its ability to change color within a specific pH range (6.0-7.6) for accurate analysis.

Is Bromothymol Blue (CAS: 76-59-5) safe?

Bromothymol Blue is generally considered safe when used in recommended concentrations, but it requires proper handling to avoid irritation. Direct contact with eyes or skin may cause mild discomfort, so protective gloves and goggles are advised. While it is not classified as highly toxic, safety data sheets (SDS) recommend following standard laboratory protocols. Always adhere to OSHA and EPA guidelines for safe use and disposal.

How should Bromothymol Blue (CAS: 76-59-5) be stored?

Bromothymol Blue should be stored in a cool, dry place away from direct light to maintain stability. It is best kept in airtight, dark-colored containers to prevent degradation. Storage conditions should ensure humidity levels are low, as moisture can affect its performance. Properly sealed containers help preserve its potency and color accuracy for extended periods.