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76-59-5

76-59-5 structural image
Product Name: Bromothymol Blue
Formula: C27H28Br2O5S
Synonyms: 3′,3′′-Dibromothymolsulfonphthalein, BTB;3′,3″-Dibromothymolsulfonphthalein;3,3`-Dibromethylmolsulfonphthalein;Bromothymol Blue
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Odorless white to cream-colored solid; Available as pure compound, monosodium salt, and dilute solutions; [CHEMINFO]
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 624.4 g/mol
XLogP3 7.6
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 4
Exact Mass 624.00037 g/mol
Monoisotopic Mass 622.00242 g/mol
Topological Polar Surface Area 92.2 Ų
Heavy Atom Count 35
Formal Charge 0
Complexity 818
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

Bromothymol blue 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-isopropyl-2-methylphenyl groups. 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 polyphenol and a sultone.

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