40070-59-5

Basic information

• Product Name: Bromoxylenol Blue
• Synonyms: 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
• CAS NO: 40070-59-5
• Molecular Formula: C₂₃H₂₀Br₂O₅S
• Molecular Weight: 568.27
• EINECS: 254-780-4
• Product Categories: Sulfonephthalein
• Mol File: 40070-59-5.mol
• Article Data: 1

Chemical Properties

• Melting Point: 218 °C (dec.)(lit.)
• Boiling Point: 605.7 °C at 760 mmHg
• Flash Point: 320.1 °C
• Appearance: Purple/Crystalline Powder
• Density: 1.684 g/cm³
• Vapor Pressure: 3.92E-16mmHg at 25°C
• Refractive Index: 1.648
• Solubility: Solubility Slightly soluble in water, ethanol; soluble in ethyl
• PKA: 7.0(at 25℃)
• BRN: 369060
• CAS DataBase Reference: Bromoxylenol Blue(CAS DataBase Reference)
• NIST Chemistry Reference: Bromoxylenol Blue(40070-59-5)
• EPA Substance Registry System: Bromoxylenol Blue(40070-59-5)

Safety Data

• Hazard Codes: Xn
• Statements: 20/21-36/37/38-20/21/22
• Safety Statements: 22-24/25-36-26
• WGK Germany: 3
• Hazardous Substances Data: 40070-59-5(Hazardous Substances Data)

Usage

Description

Bromoxylenol Blue, with the CAS number 40070-59-5, is an organic dye characterized by its purple crystalline powder form. It is known for its distinctive properties and applications in various fields.

Uses

Used in Medical Applications:
Bromoxylenol Blue is used as a colorimetric indicator for lung cancer screening. It is employed in the preparation of colorimetric sensor arrays, which are instrumental in detecting and monitoring the presence of lung cancer through the analysis of dyes and metabolites.
Used in Chemical and Analytical Applications:
Due to its unique chemical properties, Bromoxylenol Blue is also utilized in various chemical and analytical applications. Its purple crystalline nature allows it to serve as a valuable tool in research and development, as well as in quality control processes within the chemical industry.

InChI:InChI=1/C23H24Br2O5S/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/h5-10,13,16,19,21,26-27H,1-4H3/t13-,16-,19+,21-,23-/m0/s1

Upstream product

• 125-31-5 3,3-bis(4-hydroxy-2,5-dimethylphenyl)-3H-2,1λ⁶-benzoxathiole 1,1-dioxide 

Relevant articles and documents

Kinetic Analysis of the Intermediate Sultone Formation

A detailed kinetic analysis is presented of the transient sultone (A2) formation which proceeds thermally from a photogenerated intermediate species after flash excitation of bromo thymol blue and bromo xylenol blue in the presence of quinoline, pyridine and 4-methyl pyridine in toluene solution.The sultone ring cleavage is a biomolecular reaction with the base resulting in a hydrogen-bridged molecular complex (A1) which equilibrates consecutively with the most stable rotamer of the ion pair (A3).The rate constants for the latter reaction are controlled essentially by conformational changes rather than by the proper proton transfer.