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62625-28-9 molecular structure
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sodium 2-[(3,5-dibromo-4-hydroxyphenyl)(3,5-dibromo-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]benzene-1-sulfonate

ChemBase ID: 103081
Molecular Formular: C19H9Br4NaO5S
Molecular Mass: 691.94253
Monoisotopic Mass: 687.68018667
SMILES and InChIs

SMILES:
[Na+].Oc1c(Br)cc(cc1Br)/C(=C\1/C=C(Br)C(=O)C(=C1)Br)/c1c(cccc1)S(=O)(=O)[O-]
Canonical SMILES:
O=C1C(=C/C(=C(\c2ccccc2S(=O)(=O)[O-])/c2cc(Br)c(c(c2)Br)O)/C=C1Br)Br.[Na+]
InChI:
InChI=1S/C19H10Br4O5S.Na/c20-12-5-9(6-13(21)18(12)24)17(10-7-14(22)19(25)15(23)8-10)11-3-1-2-4-16(11)29(26,27)28;/h1-8,24H,(H,26,27,28);/q;+1/p-1
InChIKey:
TWKDJMRHSLWRFI-UHFFFAOYSA-M

Cite this record

CBID:103081 http://www.chembase.cn/molecule-103081.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
sodium 2-[(3,5-dibromo-4-hydroxyphenyl)(3,5-dibromo-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]benzene-1-sulfonate
IUPAC Traditional name
potassium 2-[(3,5-dibromo-4-hydroxyphenyl)(3,5-dibromo-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]benzenesulfonate
sodium 2-[(3,5-dibromo-4-hydroxyphenyl)(3,5-dibromo-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]benzenesulfonate
Synonyms
3′,3′′,5′,5′′-Tetrabromophenolsulfophthalein sodium salt
Bromphenol Blue, water soluble
Bromophenol Blue sodium salt, ACS
Blue Bromophenol Sodium Salt
3',3'',5',5''-Tetrabromophenolsulfophthalein sodium salt
BROMOPHENOL BLUE SODIUM SALT
BROMOPHENOL BLUE, ACS
Bromophenol Blue sodium salt
3′,3′′,5′,5′′-Tetrabromophenolsulfonephthalein
Bromophenol Blue sodium salt
Bromophenol Blue solution
溴酚蓝钠盐
溴酚蓝钠盐, ACS
3′,3′′,5′,5′′-四溴酚磺酞 钠盐
溴酚蓝 钠盐
3′,3′′,5′,5′′-四溴酚磺酰酞
溴酚蓝 钠盐
溴酚蓝 溶液
CAS Number
62625-28-9
34725-61-6
EC Number
263-653-2
252-170-2
231-791-2
MDL Number
MFCD00013793
Beilstein Number
6995701
Merck Index
141444
PubChem SID
24847170
162090616
24859678
24859143
24891841
24892042
PubChem CID
3791690

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa -2.6890895  H Acceptors
H Donor LogD (pH = 5.5) 3.5269427 
LogD (pH = 7.4) 2.4297588  Log P 5.981719 
Molar Refractivity 136.0272 cm3 Polarizability 48.378326 Å3
Polar Surface Area 94.5 Å2 Rotatable Bonds
Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
H2O: soluble expand Show data source
Apperance
blue, at pH above 4.6 expand Show data source
Crystalline expand Show data source
Liquid expand Show data source
Melting Point
>300°C expand Show data source
Density
0.985 g/mL at 25 °C expand Show data source
Absorption Wavelength
λmax 383 nm expand Show data source
λmax 589 nm expand Show data source
Storage Condition
Room Temperature (15-30°C) expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Safety Statements
22-24/25 expand Show data source
TSCA Listed
expand Show data source
Personal Protective Equipment
Eyeshields, Gloves expand Show data source
Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter expand Show data source
Purity
0.04% w/v aq. soln. expand Show data source
Concentration
0.04 wt. % in H2O expand Show data source
Grade
ACS expand Show data source
for electrophoresis expand Show data source
for molecular biology expand Show data source
indicator expand Show data source
REAGENT expand Show data source
Compostion
Dye content, 90% expand Show data source
Certificate of Analysis
Download expand Show data source
Download expand Show data source
Suitability
suitable for histology expand Show data source
pH Range
3.0 - 4.6, yellow to blue expand Show data source
Visual Transition Interval
3.0 - 4.6, yellow to blue expand Show data source
Measuring range
10-80 μg protein detection level expand Show data source
Empirical Formula (Hill Notation)
C19H9Br4NaO5S expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Sigma Aldrich Sigma Aldrich
MP Biomedicals - 02152506 external link
Sodium Salt
ACS Reagent Grade
MP Biomedicals - 02150522 external link
Sodium Salt
Water Soluble Form
Sigma Aldrich - B5525 external link
Application
用于琼脂糖或聚丙烯酰胺凝胶中核酸或蛋白质电泳的示踪染料。
包装
5, 10, 25 g in glass bottle
Quantity
A final concentration of 0.002-0.01% is recommended. A 2% stock solution can be made in a 5-10× buffer. The powder has limited solubility at low pH (<7). A stock solution in water can be made but should slowly be titrated with a 1 M NaOH solution until the powder dissolves and the solution turns dark blue.
Sigma Aldrich - 32768 external link
Application
A tracking dye for nucleic acid or protein electrophoresis in agarose or polyacrylamide gels.
General description
Visit our Titration Center to learn more.
Sigma Aldrich - B6131 external link
Application
用于琼脂糖或聚丙烯酰胺凝胶中核酸或蛋白质电泳的示踪染料。
Sigma Aldrich - 114405 external link
Application
A tracking dye for nucleic acid or protein electrophoresis in agarose or polyacrylamide gels.
Packaging
5, 25, 50 g in glass bottle
Sigma Aldrich - B8026 external link
Application
用于琼脂糖或聚丙烯酰胺凝胶中核酸或蛋白质电泳的示踪染料。
包装
5, 25 g in glass bottle
Sigma Aldrich - 318744 external link
Packaging
500 mL in glass bottle

REFERENCES

REFERENCES

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  • • Acid-base indicator: pH 3.0 - 4.6.
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PATENTS

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