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: [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

NAMES AND DATABASE IDS

Names

• 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

Database IDs

• CAS Number: 62625-28-9; 34725-61-6
• EC Number: 252-170-2; 263-653-2; 231-791-2
• MDL Number: MFCD00013793
• Beilstein Number: 6995701
• Merck Index: 141444
• PubChem SID: 24892042; 24847170; 162090616; 24859678; 24859143; 24891841
• PubChem CID: 3791690

CALCULATED PROPERTIES

• Acid pKa: -2.6890895
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 3.5269427
• LogD (pH = 7.4): 2.4297588
• Log P: 5.981719
• Molar Refractivity: 136.0272 cm^3
• Polarizability: 48.378326 Å^3
• Polar Surface Area: 94.5 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Solubility: H2O: soluble
• Apperance: blue, at pH above 4.6; Crystalline; Liquid
• Melting Point: >300°C
• Density: 0.985 g/mL at 25 °C
• Absorption Wavelength: λmax 383 nm; λmax 589 nm

Safety Information

• Storage Condition: Room Temperature (15-30°C)
• German water hazard class: 3
• Safety Statements: 22-24/25
• TSCA Listed: 是
• Personal Protective Equipment: Eyeshields, Gloves; Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: 0.04% w/v aq. soln.
• Concentration: 0.04 wt. % in H2O
• Grade: ACS; for electrophoresis; for molecular biology; indicator; REAGENT
• Compostion: Dye content, 90%
• Suitability: suitable for histology
• pH Range: 3.0 - 4.6, yellow to blue
• Visual Transition Interval: 3.0 - 4.6, yellow to blue
• Measuring range: 10-80 μg protein detection level
• Empirical Formula (Hill Notation): C19H9Br4NaO5S

DETAILS

MP Biomedicals - 02152506

Sodium Salt
ACS Reagent Grade

MP Biomedicals - 02150522

Sodium Salt
Water Soluble Form

Sigma Aldrich - B5525

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

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

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

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

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

Packaging
500 mL in glass bottle

REFERENCES

• Acid-base indicator: pH 3.0 - 4.6.