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115-39-9

115-39-9 structural image
Product Name: Bromophenol Blue
Formula: C19H10Br4O5S
Synonyms: Bromophenol Blue;Bromophenol Blue (BPB);3′,3′′,5′,5′′-Tetrabromophenolsulfonephthalein;3′,3″,5′,5″-Tetrabromophenolsulfonphthalein;3,3′,5,5′-Tetrabromophenolsulfonphthalein, BPB
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Odorless solid; Color varies (tan, orange, light pink, purple, or red) [CHEMINFO] Slightly soluble in water; [MSDSonline]
Color/Form Hexagonal prisms from acetic acid and acetone
Melting Point Decomposes at 279 °C (An orange discoloration with formation of a green sublimate sets in at 210 °C)
Solubility Soluble in acetic acid
Dissociation Constants pKa = 4.0
Chemical Classes Dyes -> Indicator Dyes

SAFETY INFORMATION

Signal word Danger
Pictogram(s)

Flame
Flammables
GHS02

Exclamation Mark
Irritant
GHS07

Health Hazard
GHS08
GHS Hazard Statements H226:Flammable liquids
H319:Serious eye damage/eye irritation
H340:Germ cell mutagenicity
H360:Reproductive toxicity
H372:Specific target organ toxicity, repeated exposure
H373:Specific target organ toxicity, repeated exposure
Precautionary Statement Codes P201:Obtain special instructions before use.
P202:Do not handle until all safety precautions have been read and understood.
P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking.
P233:Keep container tightly closed.
P240:Ground/bond container and receiving equipment.
P260:Do not breathe dust/fume/gas/mist/vapours/spray.
P264:Wash hands thoroughly after handling.
P264:Wash skin thouroughly after handling.
P270:Do not eat, drink or smoke when using this product.
P271:Use only outdoors or in a well-ventilated area.
P280:Wear protective gloves/protective clothing/eye protection/face protection.
P303+P361+P353:IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower.
P308+P313:IF exposed or concerned: Get medical advice/attention.
P405:Store locked up.
P403+P233:Store in a well-ventilated place. Keep container tightly closed.
P501:Dispose of contents/container to..…

COMPUTED DESCRIPTORS

Molecular Weight 670.0 g/mol
XLogP3 5.8
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 2
Exact Mass 669.69415 g/mol
Monoisotopic Mass 665.69824 g/mol
Topological Polar Surface Area 92.2 Ų
Heavy Atom Count 29
Formal Charge 0
Complexity 662
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

Bromophenol blue is 3H-2,1-Benzoxathiole 1,1-dioxide in which both of the hydrogens at position 3 have been substituted by 3,5-dibromo-4-hydroxyphenyl groups. It is used as a laboratory indicator, changing from yellow below pH 3 to purple at pH 4.6, and as a size marker for monitoring the progress of agarose gel and polyacrylamide gel electrophoresis. It has also been used as an industrial dye. It has a role as a two-colour indicator, an acid-base indicator and a dye. It is a sultone, an arenesulfonate ester, a 2,1-benzoxathiole, a member of phenols and an organobromine compound.

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