Bromoxylenol Blue

Basic Information

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CAS Number

40070-59-5

Molecular Formula

C23H20Br2O5S

Molecular Weight

568.28 g/mol

EINECS

254-780-4

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

218 °C (dec.)

Boiling Point

642.8±55.0 °C(Predicted)

Density

1.684±0.06 g/cm3(Predicted)

SMILES

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Cc1cc(c(c(c1O)Br)C)C1(OS(=O)(=O)c2c1cccc2)c1cc(C)c(c(c1C)Br)O

InChI

InChI=1S/C23H20Br2O5S/c1-11-9-16(13(3)19(24)21(11)26)23(17-10-12(2)22(27)20(25)14(17)4)15-7-5-6-8-18(15)31(28,29)30-23/h5-10,26-27H,1-4H3

InChIKey

MRDOFVRMTNWMDA-UHFFFAOYSA-N

LogP

5.8672800000000045

pKa

7.0(at 25℃)

Topological Polar Surface Area

83.83 Å²

Hydrogen Bond Donor/Acceptor

2 / 5

Complexity

736

Synonyms & References

English

BROMOXYLENOL BLUE
3',3''-DIBROMO-P-XYLENOLSULFONEPHTHALEIN
3',3''-DIBROMO-P-XYLENOLSULFONPHTHALEIN
Bromoxylenol
4,4'-(3H-2,1-benzoxathiol-3-ylidene)bis[3-bromo-2,5-dimethylphenol] S,S-dioxide
BROMXYLENOL BLUE
BROMOXYLENOL BLUE, INDICATOR GRADE
3,3'-Dibromo-p-xylenolsulfonphthaleine
Bromoxylenol Blue
2-bromo-4-[3-(3-bromo-4-hydroxy-2,5-dimethylphenyl)-1,1-dioxo-2,1λ<sup>6</sup>-benzoxathiol-3-yl]-3,6-dimethylphenol
BROMOXYLENOL BLUE, INDICATOR
3',3''-Dibromo-p-xylenolsulfonephthalein
3',3''-Dibromo-p-xylenolsulfonphthalein
3′,3″-Dibromo-p-xylenolsulfonphthalein
3',3"-Dibromo-p-xylenolsulfonphthalein
4,4'-(3H-2,1-Benzoxathiol-3-ylidene)bis[3-bromo-2,5-dimethylphenol] S,S-dioxide
C23H20Br2O5S
Bromoxylenolblue
NSC86166
6472AH
GT8506
ST51006962
B0998
Q927039
Bromoxylenol Blue, indicator grade, Dye content 95 %
3,3-bis(3-bromo-4-hydroxy-2,5-dimethylphenyl)benzo[c]1,2-oxathiolene-1,1-dione
Phenol, 4,4'-(1,1-dioxido-3H-2,1-benzoxathiol-3-ylid

MDL Number

MFCD00005873

EC Number

254-780-4

Customs Code

29349990

FAQ

What regulatory guidelines apply to Bromoxylenol Blue (CAS: 40070-59-5)?

Bromoxylenol Blue (CAS: 40070-59-5) is regulated under the Globally Harmonized System of Classification and Labelling of Chemicals (GHS), which includes hazard communication labels and safety data sheets. Additionally, it must comply with REACH regulations in the EU, which require registration of substances above 1 tonne per year. In the US, FDA and EPA regulations may apply for its use in pharmaceuticals and environmental releases, respectively.

Are there alternatives to Bromoxylenol Blue (CAS: 40070-59-5) in synthesis?

Bromoxylenol Blue (CAS: 40070-59-5) can be replaced by similar pH indicators such as Methyl Red, Phenol Red, or Thymol Blue. These alternatives have comparable pH ranges and can be used in similar applications, offering flexibility in synthesis depending on specific requirements and availability.

What is the market or research trend for Bromoxylenol Blue (CAS: 40070-59-5)?

The market for Bromoxylenol Blue (CAS: 40070-59-5) is driven by its use in pH testing and indicator applications. Research trends show an increased focus on sustainable and eco-friendly pH indicators, leading to the development of more environmentally friendly alternatives. The trend also includes the exploration of new applications in biotechnology and pharmaceuticals.

How should waste containing Bromoxylenol Blue (CAS: 40070-59-5) be handled?

Waste containing Bromoxylenol Blue (CAS: 40070-59-5) should be collected in a suitable container and disposed of through a professional hazardous waste management company. Incineration is a common method for disposal, as it ensures complete destruction of the compound. Environmental protection precautions include proper labeling and handling to prevent contamination of soil and water sources during transportation and disposal.