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Bromophenol Blue

CAT: 0013-GTR19156418-04Size: 1 gDry Ice: NoHazardous: No
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Description
Bromophenol blue is an acid phthalein dye. Bromophenol blue is used as a tracking dye for electrophoresis. Bromophenol blue is also used as a pH indicator with a transition range of pH 3 to 4.6.
CAS Number
115-39-9
Purity
>98% (HPLC)
Solubility
DMSO:50 mg/mL (74.63 mM; Need ultrasonic) ; H2O:11mg/ml (16.42mM; need ultrasonic)
Smiles
Oc (c (Br) cc (C (c1c2cccc1) (c (cc1Br) cc (Br) c1O) OS2 (=O) =O) c1) c1Br
Molecular Formula
C19H10Br4O5S
Molecular Weight
669.96
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

Chemical Information

Bromophenol Blue

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 dye, an acid-base indicator and a two-colour indicator. It is a member of phenols, an organobromine compound, a 2,1-benzoxathiole, a sultone and an arenesulfonate ester.

CAS Number115-39-9
PubChem CID8272
IUPAC Name2,6-dibromo-4-[3-(3,5-dibromo-4-hydroxyphenyl)-1,1-dioxo-2,1lambda6-benzoxathiol-3-yl]phenol
Molecular FormulaC19H10Br4O5S
Molecular Weight670.0
XLogP5.8
Topological Polar Surface Area92.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Heavy Atom Count29
Formal Charge0
Complexity662
SMILES
C1=CC=C2C(=C1)C(OS2(=O)=O)(C3=CC(=C(C(=C3)Br)O)Br)C4=CC(=C(C(=C4)Br)O)Br
InChI
InChI=1S/C19H10Br4O5S/c20-12-5-9(6-13(21)17(12)24)19(10-7-14(22)18(25)15(23)8-10)11-3-1-2-4-16(11)29(26,27)28-19/h1-8,24-25H
InChIKey
UDSAIICHUKSCKT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Bromophenol Blue
CAS: 115-39-9
CID: 8272
Formula: C19H10Br4O5S
MW: 670.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight670.0
XLogP35.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass669.69415
Monoisotopic Mass665.69824
Topological Polar Surface Area92.2 Ų
Heavy Atom Count29
Formal Charge0
Complexity662
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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