Phenolphthalin [for redox indicator] - ≥98%(HPLC)(T) , CAS No.81-90-3

CAS: 81-90-3 Cat. No.: P160787 Summenformel: C₂₀H₁₆O₄ Molekulargewicht: 320.34 Beilstein Registry Number: 10(3)2013 PubChem CID: 66494

GRADE & PURITY ≥98%(HPLC)(T)

Synonyms

2-[Bis(4-hydroxyphenyl)methyl]benzoic acid | 2-[Bis(4-hydroxyphenyl)-methyl]benzoic acid | FT-0713363 | Mondane Plus | Darmol | Ex-Lax | NCGC00257471-01 | AKOS001664686 | MLS001055365 | NCGC00259249-01 | BIDD:ER0212 | NCGC00091015-02 | NCGC00091015-04 | C

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

2-[Bis(4-hydroxyphenyl)methyl]benzoic acid | 2-[Bis(4-hydroxyphenyl)-methyl]benzoic acid | FT-0713363 | Mondane Plus | Darmol | Ex-Lax | NCGC00257471-01 | AKOS001664686 | MLS001055365 | NCGC00259249-01 | BIDD:ER0212 | NCGC00091015-02 | NCGC00091015-04 | C

Spezifikationen & Reinheit

≥98%(HPLC)(T)

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥98%(HPLC)(T)

Namen und Kennungen

Pubchem Sid

488183797

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488183797

Kanonisches Lächeln

C1=CC=C(C(=C1)C(C2=CC=C(C=C2)O)C3=CC=C(C=C3)O)C(=O)O

IUPAC Name

2-[bis(4-hydroxyphenyl)methyl]benzoic acid

InChIKey

FFFPYJTVNSSLBQ-UHFFFAOYSA-N

INCHI

1S/C20H16O4/c21-15-9-5-13(6-10-15)19(14-7-11-16(22)12-8-14)17-3-1-2-4-18(17)20(23)24/h1-12,19,21-22H,(H,23,24)

Isomere SMILES

C1=CC=C(C(=C1)C(C2=CC=C(C=C2)O)C3=CC=C(C=C3)O)C(=O)O

PubChem CID

66494

Molekulargewicht

320.34

Beilstein

10(3)2013

Reaxy-Rn

2664586

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Triphenyl compounds

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Triphenyl compounds
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Triphenyl compounds
• Alternative Parents: Benzoic acids Benzoyl derivatives 1-hydroxy-2-unsubstituted benzenoids Monocarboxylic acids and derivatives Carboxylic acids Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Triphenyl compound - Benzoic acid - Benzoic acid or derivatives - Benzoyl - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Monocyclic benzene moiety - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as triphenyl compounds. These are aromatic compounds containing a triphenyl moiety.
• External Descriptors: benzoic acids

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

Zugehörige Ziele (menschlich)

ESR1 Tclin Estrogen receptor alpha (17718 Activities)

Discover Target: ESR1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

GAA Tclin Lysosomal alpha-glucosidase (35701 Activities)

Discover Target: GAA

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)

Discover Target: ALDH1A1

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POLI Tchem DNA polymerase iota (116820 Activities)

Discover Target: POLI

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TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

Discover Target: TDP1

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ERG Tbio Transcriptional regulator ERG (5589 Activities)

Discover Target: ERG

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GMNN Tbio Geminin (128009 Activities)

Discover Target: GMNN

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KMT2A Tchem Histone-lysine N-methyltransferase MLL (17327 Activities)

Discover Target: KMT2A

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CBX1 Tbio Chromobox protein homolog 1 (92434 Activities)

Discover Target: CBX1

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Zugehörige Ziele (nicht menschlich)

TGR Thioredoxin glutathione reductase (28579 Activities)

Discover Target: TGR

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Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: Insoluble in water; Soluble in Ether,Alcohol
• Schmelzpunkt (°C): 235 °C
• Molekulargewicht: 320.300 g/mol
• XLogP3: 3.400
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 320.105 Da
• Monoisotopic Mass: 320.105 Da
• Topological Polar Surface Area: 77.800 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 386.000
• 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

Häufig gestellte Fragen

What is the purity of this product, and how is it determined?

This product is supplied at ≥98% purity, determined by HPLC. Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store in a cool place.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 81-90-3, the molecular formula is C20H16O4, and the molecular weight is 320.34 g/mol. InChIKey FFFPYJTVNSSLBQ-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.