2,4-Difluoro-5-(trifluoromethyl)aniline - ≥97% , CAS No.261944-56-3

CAS: 261944-56-3 Cat. No.: D192397 Molecular Weight: 197.11 EC Number: 174-952-1

GRADE & PURITY ≥97%

Synonyms

2,4-difluoro-5-(trifluoromethyl)aniline | A818301 | AKOS015890354 | DTXSID70372206 | MFCD01631613 | 2,4-difluoro-5-trifluoromethylaniline | DS-13420 | J-516675 | I10930 | STRONTIUMZIRCONATE | AMY28296 | Benzenamine, 2,4-difluoro-5-(trifluoromethyl)- | SY0

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonyms

2, 4-difluoro-5-(trifluoromethyl)aniline | A818301 | AKOS015890354 | DTXSID70372206 | MFCD01631613 | 2, 4-difluoro-5-trifluoromethylaniline | DS-13420 | J-516675 | I10930 | STRONTIUMZIRCONATE | AMY28296 | Benzenamine, 2, 4-difluoro-5-(trifluoromethyl)- | SY0

Specifications & Purity

≥97%

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 504761391
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504761391
• Canonical Smiles: C1=C(C(=CC(=C1N)F)F)C(F)(F)F
• IUPAC Name: 2,4-difluoro-5-(trifluoromethyl)aniline
• InChIKey: FFQALBCXGPYQGT-UHFFFAOYSA-N
• INCHI: 1S/C7H4F5N/c8-4-2-5(9)6(13)1-3(4)7(10,11)12/h1-2H,13H2
• Isomeric SMILES: C1=C(C(=CC(=C1N)F)F)C(F)(F)F
• Molecular Weight: 197.11
• Reaxy-Rn: 18988418
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=18988418&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Trifluoromethylbenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Trifluoromethylbenzenes
• Alternative Parents: Aniline and substituted anilines Fluorobenzenes Aryl fluorides Primary amines Organopnictogen compounds Organofluorides Hydrocarbon derivatives Alkyl fluorides
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Trifluoromethylbenzene - Aniline or substituted anilines - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Organonitrogen compound - Organofluoride - Organohalogen compound - Organopnictogen compound - Organic nitrogen compound - Alkyl halide - Alkyl fluoride - Amine - Primary amine - Hydrocarbon derivative - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as trifluoromethylbenzenes. These are organofluorine compounds that contain a benzene ring substituted with one or more trifluoromethyl groups.
• 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

• Sensitivity: Air sensitive;Light sensitive
• Molecular Weight: 197.100 g/mol
• XLogP3: 2.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 0
• Exact Mass: 197.026 Da
• Monoisotopic Mass: 197.026 Da
• Topological Polar Surface Area: 26.000 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 180.000
• 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. Yapeng Dong, Yuning Liang, Bo Gao, Qun Xu.  (2025)  Supercritical CO2-induced plastic deformation on two-dimensional SrZrO3 for its multiferroic performance.  Materials Chemistry Frontiers,      [PMID:] [10.1039/D5QM00076A]

2. Ruyan Chen, Yanan Li, Jiahong Li, Changqing Liu, Cheng-Xin Li.  (2025)  Flat-Tubular Segment-in-Series Solid Oxide Fuel Cells: Sinterability and Conductivity Synergistic Enhancement of La0.3Sr0.7TiO3 Interconnects through Co3O4 Modification.  ACS Sustainable Chemistry & Engineering,      [PMID:] [10.1021/acssuschemeng.5c06993]