N,N'-Dihydroxypyromellitimide - ≥96%(HPLC) , CAS No.57583-53-6

CAS: 57583-53-6 Cat. No.: N159339 Peso molecular: 248.15 Número EC: 808-019-3

GRADE & PURITY ≥96%(HPLC)

Synonyms

n,n'-dihydroxypyromellitic diimide | AKOS027250852 | 1,3,5,7(2H,6H)-tetrone; | 8NNH2HXA7W | DTXSID30206210 | 2,6-DIHYDROXYBENZO(1,2-C:4,5-C')DIPYRROLE-1,3,5,7(2H,6H)-TETRONE | BENZO(1,2-C:4,5-C')DIPYRROLE-1,3,5,7(2H,6H)-TETRONE, 2,6-DIHYDROXY- | Benzo[1,2

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

n, n'-dihydroxypyromellitic diimide | AKOS027250852 | 1, 3, 5, 7(2H, 6H)-tetrone; | 8NNH2HXA7W | DTXSID30206210 | 2, 6-DIHYDROXYBENZO(1, 2-C:4, 5-C')DIPYRROLE-1, 3, 5, 7(2H, 6H)-TETRONE | BENZO(1, 2-C:4, 5-C')DIPYRROLE-1, 3, 5, 7(2H, 6H)-TETRONE, 2, 6-DIHYDROXY- | Benzo[1, 2

Especificaciones y pureza

≥96%(HPLC)

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥96%(HPLC)

Nombres e identificadores

• Pubchem Sid: 488188688
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488188688
• Sonrisas canónicas: C1=C2C(=CC3=C1C(=O)N(C3=O)O)C(=O)N(C2=O)O
• IUPAC Name: 2,6-dihydroxypyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
• InChIKey: VBBUVIWLZBAEEF-UHFFFAOYSA-N
• INCHI: 1S/C10H4N2O6/c13-7-3-1-4-6(10(16)12(18)8(4)14)2-5(3)9(15)11(7)17/h1-2,17-18H
• Isómeros SMILES: C1=C2C(=CC3=C1C(=O)N(C3=O)O)C(=O)N(C2=O)O
• Peso molecular: 248.15
• Reaxy-Rn: 9640376
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9640376&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Isoindoles and derivatives
      • Subclass Isoindolines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Isoindoles and derivatives
• Subclass: Isoindolines
• Intermediate Tree Nodes: Not available
• Direct Parent: Isoindolones
• Alternative Parents: Isoindoles Substituted pyrroles Benzenoids Heteroaromatic compounds Lactams Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Isoindolone - Isoindole - Substituted pyrrole - Benzenoid - Pyrrole - Heteroaromatic compound - Lactam - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as isoindolones. These are aromatic polycyclic compounds that an isoindole bearing a ketone.
• 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

Propiedades químicas y físicas

• Solubilidad: Slightly soluble in Dimethylformamide
• Peso molecular: 248.150 g/mol
• XLogP3: -1.100
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 0
• Exact Mass: 248.007 Da
• Monoisotopic Mass: 248.007 Da
• Topological Polar Surface Area: 115.000 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 405.000
• 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