2,4-Difluoro-3-formylphenylboronic acid (contains varying amounts of Anhydride) - ≥95% , CAS No.870718-06-2

CAS: 870718-06-2 Cat. No.: D340890 Molecular Weight: 185.92 EC Number: 635-930-1

GRADE & PURITY ≥95%

Synonyms

AB21497 | D70601 | PVAWONNALJEQJH-UHFFFAOYSA-N | (2,4-difluoro-3-formylphenyl)boronic acid | SCHEMBL1786706 | AM90143 | BP-11429 | SY317175 | 2,4-Difluoro-3-formylphenylboronic acid | 2,4-difluoro-3-formyl-phenylboronic acid | 2,4-DIFLUORO-3-FORMYLPHENYL-

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyms

AB21497 | D70601 | PVAWONNALJEQJH-UHFFFAOYSA-N | (2, 4-difluoro-3-formylphenyl)boronic acid | SCHEMBL1786706 | AM90143 | BP-11429 | SY317175 | 2, 4-Difluoro-3-formylphenylboronic acid | 2, 4-difluoro-3-formyl-phenylboronic acid | 2, 4-DIFLUORO-3-FORMYLPHENYL-

Specifications & Purity

≥95%

Storage

Store at 2-8°C

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥95%

Names and Identifiers

• Pubchem Sid: 504762526
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504762526
• Canonical Smiles: B(C1=C(C(=C(C=C1)F)C=O)F)(O)O
• IUPAC Name: (2,4-difluoro-3-formylphenyl)boronic acid
• InChIKey: PVAWONNALJEQJH-UHFFFAOYSA-N
• INCHI: 1S/C7H5BF2O3/c9-6-2-1-5(8(12)13)7(10)4(6)3-11/h1-3,12-13H
• Isomeric SMILES: B(C1=C(C(=C(C=C1)F)C=O)F)(O)O
• Molecular Weight: 185.92
• Reaxy-Rn: 21033933
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=21033933&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Benzoyl derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzoyl derivatives
• Alternative Parents: Benzaldehydes Fluorobenzenes Aryl fluorides Vinylogous halides Boronic acids Organic metalloid salts Organometalloid compounds Organofluorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzaldehyde - Benzoyl - Fluorobenzene - Aryl-aldehyde - Halobenzene - Aryl fluoride - Aryl halide - Vinylogous halide - Boronic acid - Boronic acid derivative - Organic metalloid salt - Organic metalloid moeity - Organohalogen compound - Organooxygen compound - Aldehyde - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organofluoride - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as benzoyl derivatives. These are organic compounds containing an acyl moiety of benzoic acid with the formula (C6H5CO-).
• 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

• Melt Point(°C): 206-210° C (lit.)
• Molecular Weight: 185.920 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 186.03 Da
• Monoisotopic Mass: 186.03 Da
• Topological Polar Surface Area: 57.500 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 191.000
• 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. Shucheng Liu, Zhi Hu, Xuan Zhang, Hao Huang, Jianming Pan, Hongxiang Ou.  (2023)  Fabrication of double imprinted anchor points in cellulose nanocrystals-based hierarchical porous polyHIPEs for selective separation of flavoniods under physiological pH.  JOURNAL OF HAZARDOUS MATERIALS,      [PMID:38134695] [10.1016/j.jhazmat.2023.133230]

2. Mao Xiaoxi, Zhou Haijing, Wang Xiaotian, Jiao Enguang, Gao Meng, Wang Kunhua, Guan Meili, Ning Liangmin, Fu Min, Chen Wei.  (2025)  Biomass-derived porous carbon based molecularly imprinted polymers with multi-boronic acid sites for capture of ribavirin from water samples.  COLLOID AND POLYMER SCIENCE,      [PMID:] [10.1007/s00396-025-05538-w]