Bromocresol green (BCG) - Moligand™, indicator, pH 3.8-5.4 , CAS No.76-60-8

CAS: 76-60-8 Cat. No.: B100222 Summenformel: C₂₁H₁₄Br₄O₅S Molekulargewicht: 698.01 Beilstein Registry Number: 372527 EG-Nummer: 200-972-8

QUALITÄT & REINHEIT Moligand™, Indicator, pH 3.8-5.4

Synonyms

3',5',5''-Tetrabrom-m-cresolsulfonephthalein | BROMOCRESOL GREEN, ACS | m-Cresol,4'-(3H-2,1-benzoxathiol-3-ylidene)bis[2,6-dibromo-, S,S-dioxide | Phenol,4'-(3H-2,1-benzoxathiol-3-ylidene)bis[2,6-dibromo-3-methyl-, S,S-dioxide | Verde de bromocresol | Bro

Storage

Room temperature

Shipped In

Normal

Übersicht

Soluble in alcohol and dilute alkali solutions, slightly soluble in water, insoluble in ether and benzene; its sodium salt is soluble in water.The lactone type is colorless, while the quinone type appears as brick-red amorphous hydrate.The reported coloration varies across different literature sources.acid-base indicator 。Sodium salt is commonly used for colorimetric determination of acidity and alkalinity.Acid-base indicator, pH range 3.8 (yellow) to 5.4 (blue).The sodium salt aqueous solution is used as a chromogenic reagent for spectrophotometric determination of pH value.It is used as a reagent for the determination of aliphatic hydroxyl acids and alkaloids by thin-layer chromatography, as well as an extraction and separation agent for the determination of quaternary ammonium cations by photometric method.

Spezifikationen

Synonyme

3',5',5''-Tetrabrom-m-cresolsulfonephthalein | BROMOCRESOL GREEN, ACS | m-Cresol,4'-(3H-2,1-benzoxathiol-3-ylidene)bis[2,6-dibromo-, S,S-dioxide | Phenol,4'-(3H-2,1-benzoxathiol-3-ylidene)bis[2,6-dibromo-3-methyl-, S,S-dioxide | Verde de bromocresol | Bro

Spezifikationen & Reinheit

Moligand™, indicator, pH 3.8-5.4

Biochemische und physiologische Mechanismen

Bromocresol green is a pH-sensitive triphenylmethane dye commonly used for the determination of protein and albumin in serum. Bromocresol green is a bio-based dye with a yellow-green to blue-green color. Bromocresol green turns yellow (λmax=435 nm, proton

Storage

Room temperature

Verschickt in

Normal

Note

Indikator, Moligand™

Namen und Kennungen

Pubchem Sid

488180069

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488180069

Kanonisches Lächeln

CC1=C(C(=C(C=C1C2(C3=CC=CC=C3S(=O)(=O)O2)C4=CC(=C(C(=C4C)Br)O)Br)Br)O)Br

IUPAC Name

2,6-dibromo-4-[3-(3,5-dibromo-4-hydroxy-2-methylphenyl)-1,1-dioxo-2,1λ6-benzoxathiol-3-yl]-3-methylphenol

InChIKey

FRPHFZCDPYBUAU-UHFFFAOYSA-N

INCHI

1S/C21H14Br4O5S/c1-9-12(7-14(22)19(26)17(9)24)21(13-8-15(23)20(27)18(25)10(13)2)11-5-3-4-6-16(11)31(28,29)30-21/h3-8,26-27H,1-2H3

Isomere SMILES

CC1=C(C(=C(C=C1C2(C3=CC=CC=C3S(=O)(=O)O2)C4=CC(=C(C(=C4C)Br)O)Br)Br)O)Br

WGK Deutschland

3

Molekulargewicht

698.01

Beilstein

372527

Reaxy-Rn

372527

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=372527&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Benzofurans
      • Subclass Benzofuranones

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Benzofurans
• Subclass: Benzofuranones
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzofuranones
• Alternative Parents: Phthalides Benzoxathioles O-bromophenols Meta cresols Toluenes Bromobenzenes Organosulfonic acid esters Aryl bromides Oxacyclic compounds Organooxygen compounds Organobromides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Benzofuranone - Phthalide - Benzoxathiole - 2-halophenol - M-cresol - 2-bromophenol - Bromobenzene - Halobenzene - Toluene - Phenol - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Organosulfonic acid ester - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Oxacycle - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Organobromide - Organooxygen compound - Aromatic heteropolycyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as benzofuranones. These are organic compounds containing a benzene ring fused to a furanone.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

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SLCO2A1 Tchem Solute carrier organic anion transporter family member 2A1 (1 Activities)

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Cavia porcellus (23802 Activities)

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Slc22a6 Solute carrier family 22 member 6 (141 Activities)

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Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Empfindlichkeit: Moisture sensitive.
• Schmelzpunkt (°C): 225°C
• Molekulargewicht: 698.000 g/mol
• XLogP3: 6.500
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 697.725 Da
• Monoisotopic Mass: 693.73 Da
• Topological Polar Surface Area: 92.200 Ų
• Heavy Atom Count: 31
• Formal Charge: 0
• Complexity: 742.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1