76-59-5
Product Name:
Bromothymol Blue
Formula:
C27H28Br2O5S
Synonyms:
3′,3′′-Dibromothymolsulfonphthalein, BTB;3′,3″-Dibromothymolsulfonphthalein;3,3`-Dibromethylmolsulfonphthalein;Bromothymol Blue
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
Physical Description | Odorless white to cream-colored solid; Available as pure compound, monosodium salt, and dilute solutions; [CHEMINFO] |
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Chemical Classes | Dyes -> Indicator Dyes |
SAFETY INFORMATION
Signal word | Danger |
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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 |
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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.