Bromo Phenol Blue Indicator AR

CAT: 0459-287015-01Size: 5 gDry Ice: NoHazardous: No

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CAS Number

115-39-9

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 Number	115-39-9
PubChem CID	8272
IUPAC Name	2,6-dibromo-4-[3-(3,5-dibromo-4-hydroxyphenyl)-1,1-dioxo-2,1lambda6-benzoxathiol-3-yl]phenol
Molecular Formula	C19H10Br4O5S
Molecular Weight	670.0
XLogP	5.8
Topological Polar Surface Area	92.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Heavy Atom Count	29
Formal Charge	0
Complexity	662

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

CAS: 115-39-9

CID: 8272

Formula: C19H10Br4O5S

MW: 670.0

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	670.0
XLogP3	5.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Exact Mass	669.69415
Monoisotopic Mass	665.69824
Topological Polar Surface Area	92.2 Å²
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

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Bromo Phenol Blue Indicator AR

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