Bithionol | Solubility of Things

Identification

Molecular formula

C₁₂H₆Br₂O₂S

CAS number

97-18-7

IUPAC name

2-bromo-4-[3-(3-bromo-4-hydroxy-5-methyl-phenyl)-1,1-dioxo-2,1lambda6-benzoxathiol-3-yl]-6-methyl-phenol

State

At room temperature, bithionol is a solid. It is typically found in a crystalline powder form and is insoluble in water, but soluble in organic solvents like alcohol, ether, and chloroform.

Melting point (Celsius)

188.00

Melting point (Kelvin)

461.15

Boiling point (Celsius)

401.70

Boiling point (Kelvin)

674.85

General information

Molecular weight

394.05g/mol

Molar mass

394.2380g/mol

Density

1.7574g/cm³

Appearence

Bithionol typically appears as a white to off-white crystalline powder. It may sometimes have a slightly yellowish hue due to impurities. The substance has a characteristic odor.

Comment on solubility

Solubility of 2-bromo-4-[3-(3-bromo-4-hydroxy-5-methyl-phenyl)-1,1-dioxo-2,1lambda6-benzoxathiol-3-yl]-6-methyl-phenol

The solubility of complex organic compounds such as 2-bromo-4-[3-(3-bromo-4-hydroxy-5-methyl-phenyl)-1,1-dioxo-2,1lambda6-benzoxathiol-3-yl]-6-methyl-phenol can vary significantly due to their intricate structures and functional groups. In general, the following points can be made regarding its solubility:

Polar vs Nonpolar: The presence of hydroxyl groups (-OH) often increases solubility in polar solvents, such as water. Conversely, nonpolar parts of the molecule may tend to favor solubility in organic solvents.
Hydrophobic Interactions: The compound contains multiple aromatic rings which likely contribute to hydrophobic interactions, potentially limiting water solubility.
Solvent Selection: It is crucial to test solubility in various solvents, including:

Water
Ethanol
Acetone
Dichloromethane

Temperature Effect: Increasing the temperature can enhance solubility in some solvents by providing kinetic energy to overcome intermolecular forces.
Chemical Stability: Consideration of the compound's stability in the chosen solvent is important; some solvents may lead to degradation or transformation.

In conclusion, the solubility of 2-bromo-4-[3-(3-bromo-4-hydroxy-5-methyl-phenyl)-1,1-dioxo-2,1lambda6-benzoxathiol-3-yl]-6-methyl-phenol is influenced by an interplay of molecular structure, solvent characteristics, and experimental conditions. It is recommended to perform empirical solubility tests to ascertain the best solvent for this compound.

Interesting facts

Interesting Facts about 2-Bromo-4-[3-(3-bromo-4-hydroxy-5-methyl-phenyl)-1,1-dioxo-2,1lambda6-benzoxathiol-3-yl]-6-methyl-phenol

This intriguing compound, known for its complex structure, participates in various fascinating chemical reactions and applications. Its intricate anatomy allows it to play an essential role in diverse fields:

Antimicrobial Properties: Compounds with similar structures often exhibit antimicrobial activity, making them promising candidates for pharmaceutical research aimed at developing new antibiotics.
Drug Development: The presence of bromine and hydroxy groups can enhance biological activity, raising interest in its potential in medicinal chemistry.
Research Applications: Due to its unique properties, this compound may serve as a useful tool in material science and organic synthesis, providing insights into reaction pathways.

Moreover, the combination of the dioxo and benzothiazole moiety in its structure is particularly noteworthy. As one researcher stated, "The incorporation of heavy elements such as bromine can augment biological properties, opening new therapeutic avenues." As a chemistry student or enthusiast, understanding such compounds broadens your knowledge of how molecular modifications lead to desired chemical behavior.

In summary, 2-bromo-4-[3-(3-bromo-4-hydroxy-5-methyl-phenyl)-1,1-dioxo-2,1lambda6-benzoxathiol-3-yl]-6-methyl-phenol stands as an example of how complex organic compounds possess multifaceted relevance in scientific research, paving the way for advancements in chemistry and medicine.

Synonyms

Bromocresol purple

115-40-2

BROMCRESOL PURPLE

3,3-Bis(3-bromo-4-hydroxy-5-methylphenyl)-3H-benzo[c][1,2]oxathiole 1,1-dioxide

Bromcresol purple sultone form

MFCD00011681

5,5'-Dibromo-o-cresolsulfonphthalein

UNII-201C22C3EC

HSDB 7729

EINECS 204-087-8

NSC 374134

NSC-374134

Phenol, 4,4'-(1,1-dioxido-3H-2,1-benzoxathiol-3-ylidene)bis[2-bromo-6-methyl-

BROMCRESOL PURPLE [MI]

BROMCRESOL PURPLE [HSDB]

DTXSID3059428

CHEBI:86154

201C22C3EC

NSC374134

5',5"-dibromo-o-cresolsulfophthalein

4,4'-(3H-2,1-BENZOXATHIOL-3-YLIDENE)BIS(2-BROMO-6-METHYLPHENOL) S,S-DIOXIDE

2-bromo-4-[3-(3-bromo-4-hydroxy-5-methylphenyl)-1,1-dioxo-2,1lambda6-benzoxathiol-3-yl]-6-methylphenol

3,3-bis(3-bromo-4-hydroxy-5-methylphenyl)-2,1lambda(6)-benzoxathiole-1,1(3H)-dione

4,4'-(1,1-DIOXIDO-3H-2,1-BENZOXATHIOL-3-YLIDENE)BIS(2-BROMO-6-METHYLPHENOL)

Phenol, 4,4'-(3H-2,1-benzoxathiol-3-ylidene)bis(2-bromo-6-methyl-, S,S-dioxide

Purple, Bromcresol

.ALPHA.-(5-BROMO-4-HYDROXY-M-TOLYL)-.ALPHA.-(3-BROMO-5-METHYL-4-OXO-2,5-CYCLOHEXADIEN-1-YLIDENE)-O-TOLUENESULFONIC ACID

Purple, Bromocresol

Bromkresolpurpur

Bromocresol Roxo

3,3-Bis(3-bromo-4-hydroxy-5-methylphenyl)-3H-benzo[c][1,2]oxathiole 1,1-dioxide;

Phenol, 4,4'-(1,1-dioxido-3H-2,1-benzoxathiol-3-ylidene)bis(2-bromo-6-methyl-

Bromocresol Purpura

Bromo-cresol purple

Pourpre de bromocresol

Purpura de bromocresol

SCHEMBL63004

dibromo-o-cresolsulfonphthalein

DTXCID8033354

Bromocresol Purple, Technical grade

STL453007

AKOS000813823

Bromocresol Purple, SAJ special grade

Bromocresol purple free acid ACS grade

FB47132

HY-W087928

Phenol, 4,4'-(3H-2,1-benzoxathiol-3-ylidene)bis(2-bromo-6-methyl)-, S,S-dioxide

5?,5??-Dibromo-o-cresolsulfonephthalein

2-bromo-4-[3-(3-bromo-4-hydroxy-5-methyl-phenyl)-1,1-dioxo-2,1$l^{6}-benzoxathiol-3-yl]-6-methyl-phenol

5',5''-Dibromo-2-cresolsulfonephthalein

AC-18341

AS-14673

Bromocresol purple solution TS conforme USP

B0115

B0116

B0129

B0580

CS-0128759

NS00019934

D88669

Q425039

Phenol, 4,4'(1,1dioxido3H2,1benzoxathiol3ylidene)bis(2bromo6methyl

3,3-bis(3-bromo-4-hydroxy-5-methylphenyl)-3H-2,1-benzoxathiole-1,1-dione

Bromocresol Purple, BioReagent, suitable for indicator, Dye content 90 %

Bromocresol Purple, for microscopy (Hist., Vit.), indicator (pH 5.2-6.8)

Phenol, 4,4'(3H2,1benzoxathiol3ylidene)bis(2bromo6methyl, S,Sdioxide

3,3-bis(3-bromo-4-hydroxy-5-methylphenyl)-3H-2,1lambda-benzoxathiole-1,1-dione

4,4'-(1,1-dioxido-3H-2,1-benzoxathiole-3,3-diyl)bis(2-bromo-6-methylphenol)

ALPHA-(5-BROMO-4-HYDROXY-M-TOLYL)-ALPHA-(3-BROMO-5-METHYL-4-OXO-2,5-CYCLOHEXADIEN-1-YLIDENE)-O-TOLUENESULFONIC ACID