Pentafluorobenzene - ≥98%(GC) , CAS No.363-72-4

CAS: 363-72-4 Cat. No.: P136580 Peso molecular: 168.07 Beilstein Registry Number: 1911550 Número EC: 206-658-7 PubChem CID: 9696

GRADE & PURITY ≥98%(GC)

Synonyms

EN300-20344 | FT-0632043 | NSC 88293 | PENTAFLUOROBENZENE | SCHEMBL41646 | LS-13111 | DTXSID8059893 | AKOS000120026 | InChI=1/C6HF5/c7-2-1-3(8)5(10)6(11)4(2)9/h1H | Q1265485 | AMY3639 | MFCD00000286 | A6291 | C6HF5 | C6F5H | 1,3,4,5-Pentafluorobenzene | B

Storage

Room temperature

Shipped In

Normal

Descripción general

This can be used to introduce the pentafluorophenyl group viapentafluorophenyllithium.

Pentafluorobenzene is a fluorinated benzene with anesthetic properties. Pentafluorobenzene has been shown to potently and reversibly inhibited human α4β2 neuronal nicotinic acetylcholine receptor depe ndent on drug hydrophobicity in Xenopus laevis oocyte. New reaction conditions are described that enable the direct arylation of pentafluorobenzene with sterically encumbered aryl bromides and aryl chlorides. Bis (pentafluoropheny1) methane and tris (pentafluoropheny1) methane were prepared in 77 and 92% yields, respectively, by a Friedel-Crafts reaction of pentafluorobenzene with methylene chloride and chloroform using aluminum chloride as the Lewis acid.

Specifications

Sinónimos

EN300-20344 | FT-0632043 | NSC 88293 | PENTAFLUOROBENZENE | SCHEMBL41646 | LS-13111 | DTXSID8059893 | AKOS000120026 | InChI=1/C6HF5/c7-2-1-3(8)5(10)6(11)4(2)9/h1H | Q1265485 | AMY3639 | MFCD00000286 | A6291 | C6HF5 | C6F5H | 1, 3, 4, 5-Pentafluorobenzene | B

Especificaciones y pureza

≥98%(GC)

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%(GC)

Nombres e identificadores

• Pubchem Sid: 488181012
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488181012
• Sonrisas canónicas: C1=C(C(=C(C(=C1F)F)F)F)F
• IUPAC Name: 1,2,3,4,5-pentafluorobenzene
• InChIKey: WACNXHCZHTVBJM-UHFFFAOYSA-N
• INCHI: 1S/C6HF5/c7-2-1-3(8)5(10)6(11)4(2)9/h1H
• Isómeros SMILES: C1=C(C(=C(C(=C1F)F)F)F)F
• WGK Alemania: 2
• RTECS: DA6651600
• PubChem CID: 9696
• Peso molecular: 168.07
• Beilstein: 1911550
• Reaxy-Rn: 1911549

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Halobenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Halobenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Fluorobenzenes
• Alternative Parents: Aryl fluorides Organofluorides Hydrofluorocarbons Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Fluorobenzene - Aryl halide - Aryl fluoride - Hydrofluorocarbon - Hydrocarbon derivative - Organofluoride - Organohalogen compound - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as fluorobenzenes. These are compounds containing one or more fluorine atoms attached to a 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

• Solubilidad: Insoluble in water.
• Índice de refracción: 1.3900- 1.3920
• Punto de inflamación (°F): 57.2 °F
• Punto de inflamación (°C): 13°C(lit.)
• Punto de ebullición (°C): 84-85°C
• Punto de fusión (°C): −48 °C
• Peso molecular: 168.060 g/mol
• XLogP3: 2.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 0
• Exact Mass: 168 Da
• Monoisotopic Mass: 168 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 125.000
• 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. Yanyan Wang, Liuqian Bao, Jiajing Sun, Yuanyuan Ding, Jiasheng Shi, Zhengyu Duan, Zhiyong Chen.  (2022)  Superhydrophobic fluorinated microspheres for fluorous affinity chromatography.  JOURNAL OF CHROMATOGRAPHY A,      [PMID:36001909] [10.1016/j.chroma.2022.463428]

2. Wang Wei, Wang Shiyi, Vakili Mohammadtaghi, Wang Yan, Sun Chang, Yang Haoru, Xiao Guotao, Gong Minjuan, Zhou Shuangxi.  (2022)  Intercalating negatively charged pillars into graphene oxide sheets to enhance sulfonamide pharmaceutical removal from water.  ENVIRONMENTAL SCIENCE AND POLLUTION RESEARCH,  29  (48): (72545-72555).  [PMID:35608764] [10.1007/s11356-022-20949-w]

3. Zhentao Li, Zhenkun Mao, Changjun Hu, Qiaoyan Li, Zilin Chen.  (2020)  Fluoro-functionalized stationary phases for electrochromatographic separation of organic fluorides.  JOURNAL OF CHROMATOGRAPHY A,      [PMID:32709321] [10.1016/j.chroma.2020.461269]

4. Leyao Zhao, Jing Sun, Qiang Fang.  (2024)  Low dielectric polymers at high frequency with bulky adamantane groups as the linker.  Polymer Chemistry,      [PMID:] [10.1039/D4PY00141A]

5. Ma Baochen, Zhang Haikuo, Li Ruhong, Zhang Shuoqing, Chen Long, Zhou Tao, Wang Jinze, Zhang Ruixin, Ding Shouhong, Xiao Xuezhang, Deng Tao, Chen Lixin, Fan Xiulin.  (2024)  Molecular-docking electrolytes enable high-voltage lithium battery chemistries.  Nature Chemistry,      [PMID:39009795] [10.1038/s41557-024-01585-y]