ácido 2,3,4,5-Tetrafluorobenzoico - ≥98%(HPLC) , CAS No.1201-31-6

CAS: 1201-31-6 Cat. No.: T162551 Peso molecular: 194.08 Beilstein Registry Number: 2052670 Número EC: 601-673-9 PubChem CID: 297549

GRADE & PURITY ≥98%(HPLC)

Storage

Room temperature

Shipped In

Normal

Descripción general

el ácido 2,3,4,5-tetrafluorobenzoico se utilizó en la preparación de series de nuevos derivados organoestánnicos(IV) del ácido 2,3,4,5-tetrafluorobenzoico.

Specifications

Especificaciones y pureza

≥98%(HPLC)

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%(HPLC)

Nombres e identificadores

• Pubchem Sid: 488189358
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488189358
• Sonrisas canónicas: C1=C(C(=C(C(=C1F)F)F)F)C(=O)O
• IUPAC Name: 2,3,4,5-tetrafluorobenzoic acid
• InChIKey: SFKRXQKJTIYUAG-UHFFFAOYSA-N
• INCHI: 1S/C7H2F4O2/c8-3-1-2(7(12)13)4(9)6(11)5(3)10/h1H,(H,12,13)
• Isómeros SMILES: C1=C(C(=C(C(=C1F)F)F)F)C(=O)O
• WGK Alemania: 3
• PubChem CID: 297549
• Peso molecular: 194.08
• Beilstein: 2052670
• Reaxy-Rn: 2052670

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives
        • Level5 Halobenzoic acids and derivatives
          • Level6 Halobenzoic acids

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Halobenzoic acids and derivatives
• Direct Parent: Halobenzoic acids
• Alternative Parents: 4-halobenzoic acids 3-halobenzoic acids 2-halobenzoic acids Benzoic acids Benzoyl derivatives 1-carboxy-2-haloaromatic compounds Fluorobenzenes Aryl fluorides Vinylogous halides Monocarboxylic acids and derivatives Organooxygen compounds Organofluorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Halobenzoic acid - 4-halobenzoic acid - 3-halobenzoic acid - 2-halobenzoic acid - 4-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 - Vinylogous halide - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organic oxygen compound - Organooxygen compound - Hydrocarbon derivative - Organofluoride - Organohalogen compound - Organic oxide - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as halobenzoic acids. These are benzoic acids carrying a halogen atom on the benzene ring.
• 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

• Punto de fusión (°C): 85-87°C
• Peso molecular: 194.080 g/mol
• XLogP3: 1.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1
• Exact Mass: 193.999 Da
• Monoisotopic Mass: 193.999 Da
• Topological Polar Surface Area: 37.300 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 211.000
• 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

1. Weiji Li, Xinrui Yan, Lu Ye, Changning Ran, Yue Zhang, Ruiqi He, Bixuan Zhu, Yu He, Jiacheng Guo, Hongwei Li, Jianjun Zhang, Sude Ma.  (2024)  Effect of coupling agent 2,3,4,5-tetrafluorobenzoic acid modification on dielectric energy storage properties of PVDF/PMMA-BaTiO3 nanocomposite films.  POLYMER COMPOSITES,      [PMID:] [10.1002/pc.29058]

2. Yang Yuan, Hui Jia, Jibao Liu, Fei Gao, Xu Zhu, Zihan An, Jie Wang.  (2026)  Application of microfluidic chip coupled with carbon dots-MOF-enriched chromogenic membrane in the detection of various perfluorinated compounds.  JOURNAL OF HAZARDOUS MATERIALS,      [PMID:41610660] [10.1016/j.jhazmat.2026.141245]