2,3,4,4'-Tetrahydroxybenzophenone - ≥98% , CAS No.31127-54-5

CAS: 31127-54-5 Cat. No.: T162131 Summenformel: C₁₃H₁₀O₅ Molekulargewicht: 246.22 EG-Nummer: 608-581-8 PubChem CID: 919792

GRADE & PURITY ≥98%

Synonyms

N9N | AC7940 | AKOS005463647 | 2,3,4,4'-Tetrahydroxybenzophenone | FT-0609322 | T1594 | Oprea1_408626 | Q65643380 | 2,3,4,4?-TETRAHYDROXYBENZOPHENONE | AC-11519 | AS-12572 | Methanone, (4-hydroxyphenyl)(2,3,4-trihydroxyphenyl)- | hsp90_136 | SY037123 | BP

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

N9N | AC7940 | AKOS005463647 | 2,3,4,4'-Tetrahydroxybenzophenone | FT-0609322 | T1594 | Oprea1_408626 | Q65643380 | 2,3,4,4?-TETRAHYDROXYBENZOPHENONE | AC-11519 | AS-12572 | Methanone, (4-hydroxyphenyl)(2,3,4-trihydroxyphenyl)- | hsp90_136 | SY037123 | BP

Spezifikationen & Reinheit

≥98%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥98%

Namen und Kennungen

• Pubchem Sid: 488191675
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488191675
• Kanonisches Lächeln: C1=CC(=CC=C1C(=O)C2=C(C(=C(C=C2)O)O)O)O
• IUPAC Name: (4-hydroxyphenyl)-(2,3,4-trihydroxyphenyl)methanone
• InChIKey: ZRDYULMDEGRWRC-UHFFFAOYSA-N
• INCHI: 1S/C13H10O5/c14-8-3-1-7(2-4-8)11(16)9-5-6-10(15)13(18)12(9)17/h1-6,14-15,17-18H
• Isomere SMILES: C1=CC(=CC=C1C(=O)C2=C(C(=C(C=C2)O)O)O)O
• PubChem CID: 919792
• Molekulargewicht: 246.22
• Reaxy-Rn: 3346118

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

Chemische und physikalische Eigenschaften

• Löslichkeit: Solubility in water: Practically insoluble; Soluble in Tetrahydrofuran,Methanol; Very slightly soluble in Toluene
• Schmelzpunkt (°C): 221 °C
• Molekulargewicht: 246.210 g/mol
• XLogP3: 2.400
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 246.053 Da
• Monoisotopic Mass: 246.053 Da
• Topological Polar Surface Area: 98.000 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 298.000
• 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