Exiphon - ≥98%(HPLC) , CAS No.52479-85-3

CAS: 52479-85-3 Cat. No.: E136362 Summenformel: C₁₃H₁₀O₇ Molekulargewicht: 278.22 Beilstein Registry Number: 8(3)4364 EG-Nummer: 257-945-9

GRADE & PURITY ≥98%(HPLC)

Synonyms

EXIFONE|52479-85-3|2,3,3',4,4',5'-Hexahydroxybenzophenon|Adlon|(2,3,4-Trihydroxyphenyl)(3,4,5-Trihydroxyphenyl)methanon|4-Galloylpyrogallol|Exifon [INN]|(2,3,4-Trihydroxyphenyl)-(3,4,5-trihydroxyphenyl)methanon|NSC 680919|NSC-680919|NSC680919|Methano

Storage

Lagerung bei 2-8°C

Shipped In

Nasses Eis

Specifications

Synonyme

EXIFONE | 52479-85-3 | 2,3,3',4,4',5'-Hexahydroxybenzophenon | Adlon | (2,3,4-Trihydroxyphenyl)(3,4,5-Trihydroxyphenyl)methanon | 4-Galloylpyrogallol | Exifon [INN] | (2,3,4-Trihydroxyphenyl)-(3,4,5-trihydroxyphenyl)methanon | NSC 680919 | NSC-680919 | NSC680919 | Methano

Spezifikationen & Reinheit

≥98%(HPLC)

Storage

Lagerung bei 2-8°C

Verschickt in

Nasses Eis

Reinheit

≥98%(HPLC)

Produkteigenschaften

• ALogP: 1.7

Namen und Kennungen

• Pubchem Sid: 504753599
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504753599
• Kanonisches Lächeln: C1=CC(=C(C(=C1C(=O)C2=CC(=C(C(=C2)O)O)O)O)O)O
• IUPAC Name: (2,3,4-trihydroxyphenyl)-(3,4,5-trihydroxyphenyl)methanone
• InChIKey: XEDWWPGWIXPVRQ-UHFFFAOYSA-N
• INCHI: 1S/C13H10O7/c14-7-2-1-6(11(18)13(7)20)10(17)5-3-8(15)12(19)9(16)4-5/h1-4,14-16,18-20H
• Isomere SMILES: C1=CC(=C(C(=C1C(=O)C2=CC(=C(C(=C2)O)O)O)O)O)O
• RTECS: PC4995000
• Molekulargewicht: 278.22
• Beilstein: 8(3)4364
• Reaxy-Rn: 3401917
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3401917&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Benzene and substituted derivatives
      • Subclass Benzophenones

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Benzophenones
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzophenones
• Alternative Parents: Diphenylmethanes Aryl-phenylketones 5-unsubstituted pyrrogallols Benzoyl derivatives 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Vinylogous acids Polyols Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzophenone - Diphenylmethane - Aryl-phenylketone - Benzenetriol - Pyrogallol derivative - 5-unsubstituted pyrrogallol - Aryl ketone - Benzoyl - Phenol - 1-hydroxy-2-unsubstituted benzenoid - 1-hydroxy-4-unsubstituted benzenoid - Vinylogous acid - Ketone - Polyol - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as benzophenones. These are organic compounds containing a ketone attached to two phenyl groups.
• 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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Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: DMSO:Soluble
• Empfindlichkeit: Moisture sensitive
• Schmelzpunkt (°C): 280°C(lit.)
• Molekulargewicht: 278.210 g/mol
• XLogP3: 1.700
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 2
• Exact Mass: 278.043 Da
• Monoisotopic Mass: 278.043 Da
• Topological Polar Surface Area: 138.000 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 349.000
• 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