2,5-Difluoroterephthalic acid - ≥97% , CAS No.655-14-1

CAS: 655-14-1 Cat. No.: D589801 Molecular Weight: 202.11 EC Number: 211-508-9

GRADE & PURITY ≥97%

Synonyms

AS-75758 | SCHEMBL1713733 | 2,5-difluorobenzene-1,4-dicarboxylic acid | AKOS028113494 | F16071 | Z1269187918 | FT-0766392 | 1,4-Benzenedicarboxylicacid, 2,5-difluoro- | DTXSID50215804 | MFCD00042502 | YSWG388 | 2,5-Difluoroterephthalic acid | 2,5-difluoro

Storage

Store at 2-8°C,Desiccated

Shipped In

Wet ice

Specifications

Synonyms

AS-75758 | SCHEMBL1713733 | 2, 5-difluorobenzene-1, 4-dicarboxylic acid | AKOS028113494 | F16071 | Z1269187918 | FT-0766392 | 1, 4-Benzenedicarboxylicacid, 2, 5-difluoro- | DTXSID50215804 | MFCD00042502 | YSWG388 | 2, 5-Difluoroterephthalic acid | 2, 5-difluoro

Specifications & Purity

≥97%

Storage

Store at 2-8°C, Desiccated

Shipped In

Wet ice

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

Purity

≥97%

Names and Identifiers

• Canonical Smiles: C1=C(C(=CC(=C1F)C(=O)O)F)C(=O)O
• IUPAC Name: 2,5-difluoroterephthalic acid
• InChIKey: LWKOWFVDUSZDRA-UHFFFAOYSA-N
• INCHI: 1S/C8H4F2O4/c9-5-1-3(7(11)12)6(10)2-4(5)8(13)14/h1-2H,(H,11,12)(H,13,14)
• Isomeric SMILES: C1=C(C(=CC(=C1F)C(=O)O)F)C(=O)O
• Molecular Weight: 202.11
• Reaxy-Rn: 1971000
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1971000&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives
        • Level5 Phthalic acid and derivatives
          • Level6 P-phthalic acid and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Phthalic acid and derivatives
• Direct Parent: P-phthalic acid and derivatives
• Alternative Parents: Halobenzoic acids 3-halobenzoic acids 2-halobenzoic acids Benzoic acids Benzoyl derivatives 1-carboxy-2-haloaromatic compounds Fluorobenzenes Dicarboxylic acids and derivatives Aryl fluorides Vinylogous halides Organooxygen compounds Organofluorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Para_phthalic_acid - Halobenzoic acid - 3-halobenzoic acid - 2-halobenzoic acid - Halobenzoic acid or derivatives - 3-halobenzoic acid or derivatives - 2-halobenzoic acid or derivatives - Benzoic acid - 1-carboxy-2-haloaromatic compound - Benzoyl - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Dicarboxylic acid or derivatives - Vinylogous halide - Carboxylic acid derivative - Carboxylic acid - Organic oxygen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organofluoride - Organohalogen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as p-phthalic acid and derivatives. These are compounds containing a benzene ring bearing a carboxylic acid group at ring carbon atoms 1 and 4.
• 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: 202.110 g/mol
• XLogP3: 1.200
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 202.008 Da
• Monoisotopic Mass: 202.008 Da
• Topological Polar Surface Area: 74.600 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 230.000
• 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. Mengya Guo, Feng Wang, Mingwei Zhang, Li Wang, Xiangwen Zhang, Guozhu Li.  (2023)  Modulating Pt nanoparticles confined in UiO-66 by linker functional groups for controllable hydrogenation.  JOURNAL OF CATALYSIS,      [PMID:] [10.1016/j.jcat.2023.05.016]

2. Dongxu Shen, Yarong Liu, Chongchong Chen, Zhirong Yang, Hao Li, Shanghao Xiao, Wenjia Wu, Jingtao Wang.  (2025)  Tuning Electron Cloud Density in MOF Nanosheets for Enhanced Proton Conduction in PEMFCs.  ADVANCED FUNCTIONAL MATERIALS,      [PMID:] [10.1002/adfm.202515358]