115-40-2
Product Name:
Bromocresol Purple
Formula:
C21H16Br2O5S
Synonyms:
5′,5′′-Dibromo-o-cresolsulfonephthalein sodium salt;5′,5′′-Dibromo-o-cresolsulfonphthalein;5,5′-Dibromo-o-cresolsulfonphthalein;Bromcresol purple sultone form;Bromocresol purple
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Odorless, pale-yellow to purple solid; Available as pure compound, monosodium salt, and dilute solutions; [CHEMINFO] |
|---|---|
| Color/Form | Minute, slightly yellow crystals |
| Melting Point | 241.5 °C |
| Solubility | Soluble in alcohol, dilute alkalies |
| Dissociation Constants | pKa = 6.3 |
| Chemical Classes | Dyes -> Indicator Dyes |
SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation |
| Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P280:Wear protective gloves/protective clothing/eye protection/face protection. P304+P340:IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. P405:Store locked up. |
COMPUTED DESCRIPTORS
| Molecular Weight | 540.2 g/mol |
|---|---|
| XLogP3 | 5.1 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 2 |
| Exact Mass | 539.90647 g/mol |
| Monoisotopic Mass | 537.90852 g/mol |
| Topological Polar Surface Area | 92.2 Ų |
| Heavy Atom Count | 29 |
| Formal Charge | 0 |
| Complexity | 680 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Bromocresol purple is a member of the class of 2,1-benzoxathioles that is 2,1-benzoxathiole 1,1-dioxide in which both of the hydrogens at position 3 have been substituted by 3-bromo-4-hydroxy-5-methylphenyl groups. A hydrophilic dye that is used as a pH indicator and to measure serum albumin concentrations. It has a role as an acid-base indicator, a dye and a two-colour indicator. It is a 2,1-benzoxathiole, an arenesulfonate ester, an organobromine compound, a sultone and a polyphenol.