4,4'-Biphenyldiboronic Acid（BPDA） - ≥95%(T) , CAS No.4151-80-8

CAS: 4151-80-8 Cat. No.: B152680 Molecular Weight: 241.84 EC Number: 670-287-0

GRADE & PURITY ≥95%(T)

Synonyms

SR-01000883705 | PD007808 | AM20040438 | Q17321243 | 4,4 inverted exclamation mark -Biphenyldiboronic Acid | 4,4'-Biphenyldiyldiboronic acid | B2490 | DTXSID40370390 | SY037884 | UNII-OS4M710QCG | [4-(4-boronophenyl)phenyl]boronic acid | 4,4'-Diphenyleneb

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

SR-01000883705 | PD007808 | AM20040438 | Q17321243 | 4, 4 inverted exclamation mark -Biphenyldiboronic Acid | 4, 4'-Biphenyldiyldiboronic acid | B2490 | DTXSID40370390 | SY037884 | UNII-OS4M710QCG | [4-(4-boronophenyl)phenyl]boronic acid | 4, 4'-Diphenyleneb

Specifications & Purity

≥95%(T)

Storage

Room temperature

Shipped In

Normal

Purity

≥95%(T)

Names and Identifiers

• Pubchem Sid: 488192610
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488192610
• Canonical Smiles: B(C1=CC=C(C=C1)C2=CC=C(C=C2)B(O)O)(O)O
• IUPAC Name: [4-(4-boronophenyl)phenyl]boronic acid
• InChIKey: SLHKDOGTVUCXKX-UHFFFAOYSA-N
• INCHI: 1S/C12H12B2O4/c15-13(16)11-5-1-9(2-6-11)10-3-7-12(8-4-10)14(17)18/h1-8,15-18H
• Isomeric SMILES: B(C1=CC=C(C=C1)C2=CC=C(C=C2)B(O)O)(O)O
• Molecular Weight: 241.84
• Reaxy-Rn: 2941876
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2941876&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: Boronic acids Organic metalloid salts Organoboron compounds Organic oxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Biphenyl - Boronic acid - Boronic acid derivative - Organic metalloid salt - Organic oxygen compound - Hydrocarbon derivative - Organic salt - Organoboron 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

Associated Targets(non-human)

ampC Beta-lactamase AmpC (62480 Activities)

Discover Target: ampC

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

pbpX Penicillin-binding protein 2X (99 Activities)

Discover Target: pbpX

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Insoluble in water; Soluble in Methanol
• Melt Point(°C): 300 °C
• Molecular Weight: 241.800 g/mol
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 242.092 Da
• Monoisotopic Mass: 242.092 Da
• Topological Polar Surface Area: 80.900 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 220.000
• 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

XLogP3

References

1. Xiao Li, Xilang Jin, Liyuan Ma, Xuehao Ma, Qian Zhang, Haiyan Bai, Yiting Ma, Yulong Li, Weixing Chen, Mengyao She.  (2024)  Construction of borate-ester-based COFs with high specific surface area for the detection of H2O content in the food field.  MICROCHEMICAL JOURNAL,      [PMID:] [10.1016/j.microc.2024.109976]

2. Heming Li, Panpeng Wei, Yongqi Wang, Qiushi Zhu, Xinming Wang, Weiguo Gao, Lin Tao, Ke Ma, Zhizhi Hu, Wei Chen.  (2024)  High-frequency 5G substrate: Low dielectric biphenyl polyimide with low CTE and high thermal stability.  Materials Today Advances,      [PMID:] [10.1016/j.mtadv.2024.100514]

3. Li Xiaoqun, Kou Yufang, Jia Jia, Liu Minchao, Gao Runze, Li Yuhong, Li Gang, Xu Shuogui, Song Wei, Xie Yang, Li Xiaomin, Zhao Tiancong.  (2024)  Phenylboronic-tannin nanocolloids that scavenge subchondral reactive oxygen microenvironment and inhibit RANKL induced osteoclastogenesis for osteoarthritis treatment.  Nano Research,      [PMID:] [10.1007/s12274-024-6891-z]

4. Zhenzhong Li, Huating Jiang, Mingxiang Zhu, Fang Zhang.  (2024)  Self-Supported Chiral Dirhodium Organic Frameworks Enables Efficient Asymmetric Cyclopropanation.  ACS Applied Materials & Interfaces,      [PMID:38566322] [10.1021/acsami.4c02215]

5. Yue-Wen Zhou, Ming-Yang Jia, Jun-Lei Yang, Qinlei Liu, Zhenfeng Cai.  (2025)  Electric-Field-Induced Covalent Condensation of Boronic Acids in Water Microdroplets.  Chemical Science,      [PMID:40236590] [10.1039/D5SC01466B]