2,3,3′,4′-Biphenyl tetracarboxylic dianhydride(α-BPDA) - ≥96% , CAS No.36978-41-3

CAS: 36978-41-3 Cat. No.: B352322 Molecular Weight: 294.22 EC Number: 811-539-3

GRADE & PURITY ≥96%

Synonyms

2,3,3',4'-Biphenyltetracarboxylic dianhydride | [4,5 inverted exclamation mark -Biisobenzofuran]-1,1 inverted exclamation mark ,3,3 inverted exclamation mark -tetraone | A823489 | FT-0656250 | BCP32519 | FYYYKXFEKMGYLZ-UHFFFAOYSA-N | DS-15135 | 2,3,3',4'-

Storage

Room temperature,Argon charged

Shipped In

Normal

Specifications

Synonyms

2, 3, 3', 4'-Biphenyltetracarboxylic dianhydride | [4, 5 inverted exclamation mark -Biisobenzofuran]-1, 1 inverted exclamation mark , 3, 3 inverted exclamation mark -tetraone | A823489 | FT-0656250 | BCP32519 | FYYYKXFEKMGYLZ-UHFFFAOYSA-N | DS-15135 | 2, 3, 3', 4'-

Specifications & Purity

≥96%

Storage

Room temperature, Argon charged

Shipped In

Normal

Purity

≥96%

Names and Identifiers

• Pubchem Sid: 488194277
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488194277
• Canonical Smiles: C1=CC(=C2C(=C1)C(=O)OC2=O)C3=CC4=C(C=C3)C(=O)OC4=O
• IUPAC Name: 4-(1,3-dioxo-2-benzofuran-5-yl)-2-benzofuran-1,3-dione
• InChIKey: FYYYKXFEKMGYLZ-UHFFFAOYSA-N
• INCHI: 1S/C16H6O6/c17-13-9-5-4-7(6-11(9)15(19)21-13)8-2-1-3-10-12(8)16(20)22-14(10)18/h1-6H
• Isomeric SMILES: C1=CC(=C2C(=C1)C(=O)OC2=O)C3=CC4=C(C=C3)C(=O)OC4=O
• Molecular Weight: 294.22
• Reaxy-Rn: 1394220
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1394220&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Carboxylic acids and derivatives
      • Subclass Tetracarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Carboxylic acids and derivatives
• Subclass: Tetracarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Tetracarboxylic acids and derivatives
• Alternative Parents: Phthalic anhydrides Isobenzofuranones Benzenoids Carboxylic acid anhydrides Oxacyclic compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Tetracarboxylic acid or derivatives - Phthalic anhydride - Phthalic_anhydride - Isobenzofuranone - Benzofuranone - Isocoumaran - Benzenoid - Carboxylic acid anhydride - Oxacycle - Organoheterocyclic compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as tetracarboxylic acids and derivatives. These are carboxylic acids containing exactly four carboxyl groups.
• 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

• Sensitivity: Moisture sensitive
• Melt Point(°C): 195-205° C
• Molecular Weight: 294.210 g/mol
• XLogP3: 2.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1
• Exact Mass: 294.016 Da
• Monoisotopic Mass: 294.016 Da
• Topological Polar Surface Area: 86.700 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 567.000
• 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. Zhitao An, Wentao Li, Quan Pei, Yiting Tong, Chongxin Liu, Qingfeng Zhang, Shuhong Xie, Jing Chen.  (2024)  Excellent Stable Cycle Performance of Polyethylene Oxide-Based 3D Solid Dual-Salt Composite Electrolyte with Porous Polyimide Thin Films Host.  Advanced Materials Technologies,  9  (12): (2302168).  [PMID:] [10.1002/admt.202302168]

2. Chengyu Huang, Peng Zhang, Bo Li, Mingchen Sun, Hansong Liu, Jinsong Sun, Yan Zhao, Jianwen Bao.  (2024)  A Water-Soluble Thermoplastic Polyamide Acid Sizing Agents for Enhancing Interfacial Properties of Carbon Fibre Reinforced Polyimide Composites.  Materials,  17  (11): (2559).  [PMID:38893823] [10.3390/ma17112559]

3. Xiaoqing Sun, Chongwen Yu, Xingyao Liu, Taolve Wang, Xigao Jian, Yujie Song, Jian Xu.  (2025)  Soluble polyimide-based colorless-to-orange–red switching electrochromic film by incorporating universal joint-like structure.  Polymer Chemistry,      [PMID:] [10.1039/D5PY00149H]