Biphenyl-3,3',5,5'-tetracarboxylic Acid - ≥98%(HPLC) , CAS No.4371-28-2

CAS: 4371-28-2 Cat. No.: B152435 Molecular Weight: 330.25 EC Number: 687-332-5

GRADE & PURITY ≥98%(HPLC)

Synonyms

MFCD16621475 | AU-004/43508027 | SCHEMBL145349 | [1,1'-Biphenyl]-3,3',5,5'-tetracarboxylic acid

Storage

Room temperature

Shipped In

Normal

Overview

Biphenyl-3,3′,5,5′-tetracarboxylic acid (H4BPTC) is a carboxylic ligand material, which has multiple co-ordinated sites, and the carboxyl groups lie in the position of 120° that extend in all the directions. It has a luminescent property with an emission band maximum at 405 nm.
2(bptc)(H2O)2,MOF-501,MOF-502,MOF-505, NOTT-100, NOTT-400, NOTT-401, SNU-M11,SNU-M10 a highly symmetrical chiral Mg-based metal organic framework (MOF) with nanotubular channels. These are used for selective gas adsorption.

Specifications

Synonyms

MFCD16621475 | AU-004/43508027 | SCHEMBL145349 | [1, 1'-Biphenyl]-3, 3', 5, 5'-tetracarboxylic acid

Specifications & Purity

≥98%(HPLC)

Storage

Room temperature

Shipped In

Normal

Purity

≥98%(HPLC)

Names and Identifiers

• Pubchem Sid: 488198988
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488198988
• Canonical Smiles: C1=C(C=C(C=C1C(=O)O)C(=O)O)C2=CC(=CC(=C2)C(=O)O)C(=O)O
• IUPAC Name: 5-(3,5-dicarboxyphenyl)benzene-1,3-dicarboxylic acid
• InChIKey: QURGMSIQFRADOZ-UHFFFAOYSA-N
• INCHI: 1S/C16H10O8/c17-13(18)9-1-7(2-10(5-9)14(19)20)8-3-11(15(21)22)6-12(4-8)16(23)24/h1-6H,(H,17,18)(H,19,20)(H,21,22)(H,23,24)
• Isomeric SMILES: C1=C(C=C(C=C1C(=O)O)C(=O)O)C2=CC(=CC(=C2)C(=O)O)C(=O)O
• WGK Germany: 3
• Molecular Weight: 330.25
• Reaxy-Rn: 3453740
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3453740&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Biphenyls and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Biphenyls and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Biphenyls and derivatives
• Alternative Parents: M-phthalic acid and derivatives Benzoic acids Benzoyl derivatives Carboxylic acids Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Meta_phthalic_acid - Biphenyl - Benzoic acid - Benzoic acid or derivatives - Benzoyl - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as biphenyls and derivatives. These are organic compounds containing to benzene rings linked together by a C-C bond.
• 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: 330.240 g/mol
• XLogP3: 1.700
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 5
• Exact Mass: 330.038 Da
• Monoisotopic Mass: 330.038 Da
• Topological Polar Surface Area: 149.000 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 450.000
• 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. Chaohui He, Peng Zhang, Yong Wang, Yujuan Zhang, Tuoping Hu, Libo Li, Jinping Li.  (2022)  Thermodynamic and kinetic synergetic separation of CO2/C2H2 in an ultramicroporous metal-organic framework.  SEPARATION AND PURIFICATION TECHNOLOGY,      [PMID:] [10.1016/j.seppur.2022.122318]

2. Haiyan Jiang, Li Xu, Kuilin Peng, Xiaoling Zhang, Shaojuan Zeng, Yangyang Guo, Lu Bai, Ming-Shui Yao, Xiangping Zhang.  (2024)  Confined dual functionalized ionic liquids in metal-organic frameworks for selective NH3 adsorption.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2024.154543]

3. Shuqing Ma, Chunyan Ding, Zhuoyang Li, Yu Ma, Songsong Wu, Xiaozhen Ren, Shan Gao, Chuncheng Wei, Weiwei Zhou, Guangwu Wen, Xiaoxiao Huang.  (2024)  Nano-alumina islands enabling superior capacitive lithium-ion storage of pitaya configuration.  CARBON,      [PMID:] [10.1016/j.carbon.2024.119066]

4. Wenyuan Jiang, Long Yu, Zhaojing Yuan, Hongyu He, Kaili Wu, Zhiqing Wen, Ziqing Liu, Jiaxuan Chen, Xiangyang Hao, Jianteng Sun, Suhua Wang.  (2025)  Photoinduced electron transfer-driven dual-ligand MOF fluorescence sensor for highly selective and sensitive detection of periodate in complex water samples.  SENSORS AND ACTUATORS B-CHEMICAL,      [PMID:] [10.1016/j.snb.2025.138416]