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

CAS: 57583-53-6 Cat. No.: N159339 Molecular Weight: 248.15 EC Number: 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

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

Specifications & Purity

≥96%(HPLC)

Storage

Room temperature

Shipped In

Normal

Purity

≥96%(HPLC)

Names and Identifiers

• Pubchem Sid: 488188688
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488188688
• Canonical Smiles: 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
• Isomeric SMILES: C1=C2C(=CC3=C1C(=O)N(C3=O)O)C(=O)N(C2=O)O
• Molecular Weight: 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
    • Class Isoindoles and derivatives
      • Subclass Isoindolines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: 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
• Description: 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

Chemical and Physical Properties

• Solubility: Slightly soluble in Dimethylformamide
• Molecular Weight: 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