GRADE & PURITY ≥98%

Synonyms

AKOS000119914 | DTXSID8022119 | PENTAFLUOROPHENYLAMIN | 2,3,4,5,6-pentafluoro benzenamine | MS06IL3Y2Q | 2,3,4,5,6-PENTAFLUOROANILINE | Q27284202 | (pentafluorophenyl)amine | NOXLGCOSAFGMDV-UHFFFAOYSA- | NSC 88320 | SY038922 | AS-14404 | Pentafluoroanilin

Storage

Room temperature,Argon charged,Desiccated,Cool

Shipped In

Normal

Overview

Usually used in the preparation of pentafluorophenylammonium triflate, an efficient catalyst for esterification and thioesterification.And also used in synthesis of various titanium complexes having two anionic [N, O–] bidentate salicylaldiminato ligands.

Specifications

Synonyms

AKOS000119914 | DTXSID8022119 | PENTAFLUOROPHENYLAMIN | 2, 3, 4, 5, 6-pentafluoro benzenamine | MS06IL3Y2Q | 2, 3, 4, 5, 6-PENTAFLUOROANILINE | Q27284202 | (pentafluorophenyl)amine | NOXLGCOSAFGMDV-UHFFFAOYSA- | NSC 88320 | SY038922 | AS-14404 | Pentafluoroanilin

Specifications & Purity

≥98%

Storage

Room temperature, Argon charged, Desiccated, Cool

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Canonical Smiles: C1(=C(C(=C(C(=C1F)F)F)F)F)N
• IUPAC Name: 2,3,4,5,6-pentafluoroaniline
• InChIKey: NOXLGCOSAFGMDV-UHFFFAOYSA-N
• INCHI: 1S/C6H2F5N/c7-1-2(8)4(10)6(12)5(11)3(1)9/h12H2
• Isomeric SMILES: C1(=C(C(=C(C(=C1F)F)F)F)F)N
• WGK Germany: 3
• RTECS: BY7920000
• Molecular Weight: 183.08
• Beilstein: 1819387
• Reaxy-Rn: 1819387
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1819387&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Aniline and substituted anilines
• Intermediate Tree Nodes: Not available
• Direct Parent: Aniline and substituted anilines
• Alternative Parents: Fluorobenzenes Aryl fluorides Primary amines Organopnictogen compounds Organofluorides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Aniline or substituted anilines - Halobenzene - Fluorobenzene - Aryl halide - Aryl fluoride - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Organofluoride - Organohalogen compound - Amine - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as aniline and substituted anilines. These are organic compounds containing an aminobenzene moiety.
• 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

• Solubility: Soluble in toluene, and organic solvents. Insoluble in water.
• Sensitivity: air sensitive
• Flash Point(°F): 165.2 °F
• Flash Point(°C): 73℃(163°F)
• Boil Point(°C): 153°C
• Melt Point(°C): 34-37°C
• Molecular Weight: 183.080 g/mol
• XLogP3: 1.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 0
• Exact Mass: 183.011 Da
• Monoisotopic Mass: 183.011 Da
• Topological Polar Surface Area: 26.000 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 150.000
• 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. Shuo Yang, Yufeng Cai, Sizhe Tang, Yujie Song, Bing Li, Dongyan Tang, Ming Liu.  (2023)  Self-Cleaning Red-Toned Perylene Poly(aryl ether) Film with Superior NIR Reflectance for Passive Radiative Cooling.  ACS Sustainable Chemistry & Engineering,      [PMID:] [10.1021/acssuschemeng.3c03488]

2. Jing Ding, Jianping Zhang, Hailong Wang, Yahua Zhu, Mengming Sun, Qiang Wang, Haiquan Zhang.  (2022)  Detecting metal ions by the color change in perylene diimide radical anion/b-PEI complex.  DYES AND PIGMENTS,      [PMID:] [10.1016/j.dyepig.2022.110942]

3. Changhai Zhang, Zhiqi Zhou, Xue Zhang, Xu Tong, Chao Wang, Tiandong Zhang, Wenju Wu, Qingguo Chi.  (2025)  Synergistic enhancement of high-temperature dielectric energy storage in polyisopren-imide based polymers via fluorination and dual physical-chemical crosslinking.  Journal of Energy Storage,      [PMID:] [10.1016/j.est.2025.118941]