Phenol Red sodium salt - AR , CAS No.34487-61-1

CAS: 34487-61-1 Cat. No.: P102680 Molecular Weight: 376.36 Beilstein Registry Number: 6260026 EC Number: 252-057-8 PubChem CID: 23686673

GRADE & PURITY AR

Synonyms

UNII-50J9732WBG | EINECS 252-057-8 | HY-D0169A | Sodium hydrogen 4,4'-(3H-2,1-benzoxathiol-3-ylidene)bisphenolate S,S-dioxide | MFCD00066901 | SCHEMBL222482 | D78307 | Sodium 4-(3-(4-hydroxyphenyl)-1,1-dioxido-3H-benzo[c][1,2]oxathiol-3-yl)phenolate | NCG

Storage

Room temperature

Shipped In

Normal

Overview

Phenol Red sodium salt is a water soluble pH indicator used in the 6.8 (yellow) to 8.2 (red) range.
A small molecule pH indicator.

Specifications

Synonyms

UNII-50J9732WBG | EINECS 252-057-8 | HY-D0169A | Sodium hydrogen 4, 4'-(3H-2, 1-benzoxathiol-3-ylidene)bisphenolate S, S-dioxide | MFCD00066901 | SCHEMBL222482 | D78307 | Sodium 4-(3-(4-hydroxyphenyl)-1, 1-dioxido-3H-benzo[c][1, 2]oxathiol-3-yl)phenolate | NCG

Specifications & Purity

AR

Biochemical and Physiological Mechanisms

Water soluble pH indicator used in the 6.8 (yellow) to 8.2 (red) range. Commonly employed as a cell tissue culture pH marker. Under normal conditions, phenol red added to the growth medium will have a pink-red color. Dying cells or overgrowth of contamina

Storage

Room temperature

Shipped In

Normal

Grade

AR

Note

Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

Names and Identifiers

• Pubchem Sid: 488200529
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488200529
• Canonical Smiles: C1=CC=C2C(=C1)C(OS2(=O)=O)(C3=CC=C(C=C3)O)C4=CC=C(C=C4)[O-].[Na+]
• IUPAC Name: sodium;4-[3-(4-hydroxyphenyl)-1,1-dioxo-2,1λ6-benzoxathiol-3-yl]phenolate
• InChIKey: HKHYOKBQJILTEI-UHFFFAOYSA-M
• INCHI: 1S/C19H14O5S.Na/c20-15-9-5-13(6-10-15)19(14-7-11-16(21)12-8-14)17-3-1-2-4-18(17)25(22,23)24-19;/h1-12,20-21H;/q;+1/p-1
• Isomeric SMILES: C1=CC=C2C(=C1)C(OS2(=O)=O)(C3=CC=C(C=C3)O)C4=CC=C(C=C4)[O-].[Na+]
• WGK Germany: 3
• PubChem CID: 23686673
• Molecular Weight: 376.36
• Beilstein: 6260026
• Reaxy-Rn: 6260026

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Benzofurans
• Subclass: Benzofuranones
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzofuranones
• Alternative Parents: Phthalides Benzoxathioles Phenoxides 1-hydroxy-2-unsubstituted benzenoids Organosulfonic acid esters Oxacyclic compounds Organooxygen compounds Organic sodium salts Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Benzofuranone - Phthalide - Benzoxathiole - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Phenoxide - Monocyclic benzene moiety - Organosulfonic acid ester - Benzenoid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Organic alkali metal salt - Oxacycle - Hydrocarbon derivative - Organooxygen compound - Organic oxide - Organic oxygen compound - Organic salt - Organic sodium salt - Aromatic heteropolycyclic compound
• Description: 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

Chemical and Physical Properties

• Solubility: Soluble in water yielding a dark red solution (25 mg/ml), alcohol (4 mg/ml), methanol, ethanol (200 mg/ml), and aqueous alkali hydroxides or carbonates with formation of a red colored solution.
• Boil Point(°C): 285 °C
• Melt Point(°C): 285°C
• Molecular Weight: 376.400 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 376.038 Da
• Monoisotopic Mass: 376.038 Da
• Topological Polar Surface Area: 95.000 Ų
• Heavy Atom Count: 26
• Formal Charge: 0
• Complexity: 575.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 2

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