Pyromellitic Diimide - ≥97% , CAS No.2550-73-4

CAS: 2550-73-4 Cat. No.: P160154 Molecular Weight: 216.15 Beilstein Registry Number: 214780 PubChem CID: 75696

GRADE & PURITY ≥97%

Synonyms

Oprea1_370668 | Benzene-1,2,4,5-tetracarboxylic diimide | SCHEMBL342450 | Benzo(1,2-c:4,5-c')dipyrrole-1,3,5,7(2H,6H)-tetrone | MFCD00017660 | UGQZLDXDWSPAOM-UHFFFAOYSA-N | 1,2,4,5-Benzenetetracarboxylic 1,2:4,5-diimide | 1H,2H,3H,5H,6H,7H-pyrrolo[3,4-f]i

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

Oprea1_370668 | Benzene-1, 2, 4, 5-tetracarboxylic diimide | SCHEMBL342450 | Benzo(1, 2-c:4, 5-c')dipyrrole-1, 3, 5, 7(2H, 6H)-tetrone | MFCD00017660 | UGQZLDXDWSPAOM-UHFFFAOYSA-N | 1, 2, 4, 5-Benzenetetracarboxylic 1, 2:4, 5-diimide | 1H, 2H, 3H, 5H, 6H, 7H-pyrrolo[3, 4-f]i

Specifications & Purity

≥97%

Storage

Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 504754982
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504754982
• Canonical Smiles: C1=C2C(=CC3=C1C(=O)NC3=O)C(=O)NC2=O
• IUPAC Name: pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
• InChIKey: UGQZLDXDWSPAOM-UHFFFAOYSA-N
• INCHI: 1S/C10H4N2O4/c13-7-3-1-4-6(10(16)12-8(4)14)2-5(3)9(15)11-7/h1-2H,(H,11,13,15)(H,12,14,16)
• Isomeric SMILES: C1=C2C(=CC3=C1C(=O)NC3=O)C(=O)NC2=O
• WGK Germany: 3
• PubChem CID: 75696
• Molecular Weight: 216.15
• Beilstein: 214780
• Reaxy-Rn: 214780

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 Benzenoids Pyrroles Heteroaromatic compounds Lactams Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Isoindolone - Isoindole - Benzenoid - Heteroaromatic compound - Pyrrole - Lactam - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen 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

• Molecular Weight: 216.150 g/mol
• XLogP3: -0.500
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 216.017 Da
• Monoisotopic Mass: 216.017 Da
• Topological Polar Surface Area: 92.300 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 355.000
• 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

References

1. Zishang Tian, Qi Zhao, Xingchen Liu, Yingxiong Wang, Jie Zhao, Yuqi Wang, Xianglin Hou.  (2023)  Efficient Aminolysis of Polyimide for Chemical Recovery of Flexible Printed Circuit Boards.  ACS Sustainable Chemistry & Engineering,      [PMID:] [10.1021/acssuschemeng.3c02350]