3,4,5-Trihydroxybenzamide - ≥96% , CAS No.618-73-5

CAS: 618-73-5 Cat. No.: T344402 Summenformel: C₇H₇NO₄ Molekulargewicht: 169.13 EG-Nummer: 210-561-5 PubChem CID: 69256

GRADE & PURITY ≥96%

Synonyms

3,4,5-trihydroxybenzamide hydrate | 3,4,5-tris(oxidanyl)benzamide | gallic acid amide | MFCD00014800 | Gallamide | SCHEMBL2139 | UNII-T258D82AEJ | A833459 | DTXSID80210802 | SCHEMBL13924917 | Benzamide, 3,4,5-trihydroxy- | NSC1124 | NSC-1124 | T258D82AEJ

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Übersicht

3,4,5-Trihydroxybenzamide is a phenolic antioxidant and fabric dye.

Specifications

Synonyme

3,4,5-trihydroxybenzamide hydrate | 3,4,5-tris(oxidanyl)benzamide | gallic acid amide | MFCD00014800 | Gallamide | SCHEMBL2139 | UNII-T258D82AEJ | A833459 | DTXSID80210802 | SCHEMBL13924917 | Benzamide, 3,4,5-trihydroxy- | NSC1124 | NSC-1124 | T258D82AEJ

Spezifikationen & Reinheit

≥96%

Storage

Store at 2-8°C,Argon charged

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥96%

Namen und Kennungen

• Kanonisches Lächeln: C1=C(C=C(C(=C1O)O)O)C(=O)N
• IUPAC Name: 3,4,5-trihydroxybenzamide
• InChIKey: RBQIPEJXQPQFJX-UHFFFAOYSA-N
• INCHI: 1S/C7H7NO4/c8-7(12)3-1-4(9)6(11)5(10)2-3/h1-2,9-11H,(H2,8,12)
• Isomere SMILES: C1=C(C=C(C(=C1O)O)O)C(=O)N
• PubChem CID: 69256
• Molekulargewicht: 169.13

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Phenols
      • Subclass Benzenetriols and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Phenols
• Subclass: Benzenetriols and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyrogallols and derivatives
• Alternative Parents: Benzamides Benzoyl derivatives 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Primary carboxylic acid amides Polyols Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzamide - Benzoic acid or derivatives - Pyrogallol derivative - Benzoyl - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Monocyclic benzene moiety - Carboxamide group - Primary carboxylic acid amide - Carboxylic acid derivative - Polyol - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organooxygen compound - Organic nitrogen compound - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as pyrogallols and derivatives. These are compounds containing a 1,2,3-trihydroxybenzene moiety.
• 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

• Empfindlichkeit: Hygroscopic
• Schmelzpunkt (°C): 224-229° C (lit.)
• Molekulargewicht: 169.130 g/mol
• XLogP3: 0.000
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 169.038 Da
• Monoisotopic Mass: 169.038 Da
• Topological Polar Surface Area: 104.000 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 172.000
• 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