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 SAFETY INFORMATION COMPUTED DESCRIPTORS PRODUCT INTRODUCTION RELATED SUPPLIERS

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 Å²
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.