Tetrafluoroterephthalic Acid - ≥97%(T) , CAS No.652-36-8

CAS: 652-36-8 Cat. No.: T162585 Peso molecular: 238.09 Número EC: 211-489-7 PubChem CID: 69549

GRADE & PURITY ≥97%(T)

Synonyms

NSC96897 | NSC-96897 | STL555166 | Tetrafluoroterephthalic acid | Tetrafluoroterephthalic acid, 97% | 2,5,7-TRINITRO-9-OXO-9H-FLUORENE-4-CARBOXYLICACIDMETHYLESTER | AS-17696 | MFCD00012301 | 2,3,5,6-TETRAFLUOROBENZENE-1,4-DIOIC ACID | 2,3,5,6-Tetrafluorot

Storage

Room temperature

Shipped In

Normal

Descripción general

2,3,5,6-Tetrafluoroterephthalic Acid is used in the preparation of zinc/nickel/copper imidazolylpyridinone tetrafluoroterephthalate.

Specifications

Sinónimos

NSC96897 | NSC-96897 | STL555166 | Tetrafluoroterephthalic acid | Tetrafluoroterephthalic acid, 97% | 2, 5, 7-TRINITRO-9-OXO-9H-FLUORENE-4-CARBOXYLICACIDMETHYLESTER | AS-17696 | MFCD00012301 | 2, 3, 5, 6-TETRAFLUOROBENZENE-1, 4-DIOIC ACID | 2, 3, 5, 6-Tetrafluorot

Especificaciones y pureza

≥97%(T)

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥97%(T)

Nombres e identificadores

• Pubchem Sid: 488184351
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488184351
• Sonrisas canónicas: C1(=C(C(=C(C(=C1F)F)C(=O)O)F)F)C(=O)O
• IUPAC Name: 2,3,5,6-tetrafluoroterephthalic acid
• InChIKey: WFNRNCNCXRGUKN-UHFFFAOYSA-N
• INCHI: 1S/C8H2F4O4/c9-3-1(7(13)14)4(10)6(12)2(5(3)11)8(15)16/h(H,13,14)(H,15,16)
• Isómeros SMILES: C1(=C(C(=C(C(=C1F)F)C(=O)O)F)F)C(=O)O
• PubChem CID: 69549
• Peso molecular: 238.09

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase 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
• Clase: 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
• Descripción: 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

Propiedades químicas y físicas

• Solubilidad: Solubility in hot Water very faint turbidity
• Peso molecular: 238.090 g/mol
• XLogP3: 1.400
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 2
• Exact Mass: 237.989 Da
• Monoisotopic Mass: 237.989 Da
• Topological Polar Surface Area: 74.600 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 264.000
• 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

Referencias

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20. Yao Lei, Chengli Xie, Tong Xu, Min Wang, Lianzhe Hu, Zhining Xia.  (2025)  Enhancing the sensing selectivity of phosphatase-mimicking UiO-66 nanozyme through ligand perfluorination for selective detection and removal of Al3+.  INORGANIC CHEMISTRY COMMUNICATIONS,      [PMID:] [10.1016/j.inoche.2025.115132]

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