Bismuth subgallate hydrate - ≥97% , CAS No.99-26-3

CAS: 99-26-3 Cat. No.: B305063 Summenformel: C₇H₅BiO₆ · xH₂O Molekulargewicht: 394.09 (anhydrous basis) EG-Nummer: 202-742-2 PubChem CID: 16682999

GRADE & PURITY ≥97%

Synonyms

DTXSID3046588 | 1,3,2-Benzodioxabismole-5-carboxylic acid, 2,7-dihydroxy- | Gallic acid bismuth basic salt | CAS-99-26-3 | E75771 | MFCD00044980 | 2,7-dihydroxy-2H-benzo[d]1,3-dioxa-2-bismacyclopentane-5-carboxylic acid | NCGC00166280-01 | AKOS030573444 |

Storage

Room temperature,Argon charged

Shipped In

Normal

Übersicht

Investigations of:

· Pharmacological activity, specifically NO and PGE2 production by macrophages

· Treatment of Helicobacter pylori infections

Specifications

Synonyme

DTXSID3046588 | 1,3,2-Benzodioxabismole-5-carboxylic acid, 2,7-dihydroxy- | Gallic acid bismuth basic salt | CAS-99-26-3 | E75771 | MFCD00044980 | 2,7-dihydroxy-2H-benzo[d]1,3-dioxa-2-bismacyclopentane-5-carboxylic acid | NCGC00166280-01 | AKOS030573444 |

Spezifikationen & Reinheit

≥97%

Storage

Room temperature,Argon charged

Verschickt in

Normal

Reinheit

≥97%

Namen und Kennungen

• Pubchem Sid: 488199399
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488199399
• Kanonisches Lächeln: C1=C(C=C2C(=C1O)O[Bi]O2)C(=O)O.O
• InChIKey: XXCBNHDMGIZPQF-UHFFFAOYSA-L
• INCHI: 1S/C7H6O5.Bi.H2O/c8-4-1-3(7(11)12)2-5(9)6(4)10;;/h1-2,8-10H,(H,11,12);;1H2/q;+2;/p-2
• Isomere SMILES: C1=C(C=C2C(=C1O)O[Bi]O2)C(=O)O.O
• Alternative CAS-Nummer: 342406-26-2
• PubChem CID: 16682999
• Molekulargewicht: 394.09 (anhydrous basis)

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives
        • Ebene5 Hydroxybenzoic acid derivatives
          • Ebene6 Gallic acid and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Hydroxybenzoic acid derivatives
• Direct Parent: Gallic acid and derivatives
• Alternative Parents: 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Oxacyclic compounds Organic metal salts Metalloheterocyclic compounds Carboxylic acids Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Gallic acid or derivatives - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Oxacycle - Organic metal salt - Organoheterocyclic compound - Metalloheterocycle - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic heteropolycyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as gallic acid and derivatives. These are compounds containing a 3,4,5-trihydroxybenzoic acid 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

• Siedepunkt (°C): 501.1°C at 760 mmHg
• Schmelzpunkt (°C): 223°C
• Molekulargewicht: 395.100 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1
• Exact Mass: 394.997 Da
• Monoisotopic Mass: 394.997 Da
• Topological Polar Surface Area: 77.000 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 222.000
• 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: 2

XLogP3