4-Fluorobenzoyl chloride - ≥98% , CAS No.403-43-0

CAS: 403-43-0 Cat. No.: F109226 Peso molecular: 158.56 Beilstein Registry Number: 386215 Número EC: 206-961-4

GRADE & PURITY ≥98%

Synonyms

F2190-0060 | A25256 | PB42763 | para-Fluorobenzoyl chloride | UNII-WW9JD3YJ9Q | 4-fluorobenzoyl-d4 chloride | A825063 | F0213 | p-fluorobenzoyl choride | EINECS 206-961-4 | NSC-88305 | p-Fluorobenzoyl chloride | 4-Fluoro benzoyl chloride | CK1093 | W-1063

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Descripción general

4-Fluorobenzoyl chloride undergoes Friedel-Crafts acylation reaction with 2,6-dimethylnaphthalene to give 1,5-bis(4-fluorobenzoyl)-2,6-dimethylnaphthalene.

Specifications

Sinónimos

F2190-0060 | A25256 | PB42763 | para-Fluorobenzoyl chloride | UNII-WW9JD3YJ9Q | 4-fluorobenzoyl-d4 chloride | A825063 | F0213 | p-fluorobenzoyl choride | EINECS 206-961-4 | NSC-88305 | p-Fluorobenzoyl chloride | 4-Fluoro benzoyl chloride | CK1093 | W-1063

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Argon charged

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: C1=CC(=CC=C1C(=O)Cl)F
• IUPAC Name: 4-fluorobenzoyl chloride
• InChIKey: CZKLEJHVLCMVQR-UHFFFAOYSA-N
• INCHI: 1S/C7H4ClFO/c8-7(10)5-1-3-6(9)4-2-5/h1-4H
• Isómeros SMILES: C1=CC(=CC=C1C(=O)Cl)F
• WGK Alemania: 3
• Peso molecular: 158.56
• Beilstein: 386215
• Reaxy-Rn: 386215
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=386215&ln=

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 4-halobenzoic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Halobenzoic acids and derivatives
• Direct Parent: 4-halobenzoic acids and derivatives
• Alternative Parents: Benzoyl derivatives Fluorobenzenes Aryl fluorides Acyl chlorides Organooxygen compounds Organofluorides Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: 4-halobenzoic acid or derivatives - Benzoyl - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Acyl halide - Acyl chloride - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organofluoride - Organooxygen compound - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as 4-halobenzoic acids and derivatives. These are benzoic acids or derivatives carrying a halogen atom at the 4-position of 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

• Solubilidad: Reacts with water.
• Sensibilidad: Moisture sensitive.heat sensitive
• Punto de congelación (°C): 10 °C
• Índice de refracción: 1.5290 to 1.5330
• Punto de inflamación (°F): 179.6 °F
• Punto de inflamación (°C): 82 °C
• Punto de ebullición (°C): 193°C
• Punto de fusión (°C): 10-12°C
• Peso molecular: 158.560 g/mol
• XLogP3: 3.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 157.993 Da
• Monoisotopic Mass: 157.993 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 130.000
• 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. Tian-Yu Teng, Fan Hu, Yan-Hui Lou, Jun-Jie Cao, Chun-Hao Chen, Yi-Ran Shi, Kai-Li Wang, Jing Chen, Zhao-Kui Wang, Liang-Sheng Liao.  (2023)  Repaired surface structural imperfection of tin Wide-Bandgap perovskite films for photovoltaic application.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2023.141292]

2. Yiyang Gu, Chunyu Ru, Zhen Zhao, Danming Chao, Xincai Liu.  (2019)  Performance enhancement of shape memory poly(aryl ether ketone) via photodimerization of pendant anthracene units.  EUROPEAN POLYMER JOURNAL,      [PMID:] [10.1016/j.eurpolymj.2019.109413]

3. Zhongda Wu, Yanting Du, Quan Zhou, Lianqing Chen.  (2019)  One pot solvothermal synthesis of novel fluorescent phloem-mobile phenylpyrazole amide pesticides fused olefin moieties to enhance insecticidal bioactivities and photodegradation properties.  PESTICIDE BIOCHEMISTRY AND PHYSIOLOGY,      [PMID:31973870] [10.1016/j.pestbp.2019.10.003]

4. Zhen Zhao, Yiyang Gu, Danming Chao, Xincai Liu.  (2019)  Synthesis and properties of shape memory poly(aryl ether ketone)s.  EUROPEAN POLYMER JOURNAL,      [PMID:] [10.1016/j.eurpolymj.2019.04.026]

5. Yongjun Liu, Ming Zhong, Chen Song, Shouri Sheng, Xiaoling Liu, Haoqing Hou.  (2018)  Preparation and properties of novel alternating poly(aryl ether ketone).  HIGH PERFORMANCE POLYMERS,      [PMID:] [10.1177/0954008318778886]

6. Zhenxing Li, Hong Tu, Taihong Zhang, Jinhong Hu, Xiang Zhou, Li-Wei Liu, Jian Wu, Song Yang.  (2025)  Molecular engineering of gCN-based multifunctional photocatalysts via in situ covalent modification.  Journal of Materials Chemistry A,      [PMID:] [10.1039/D4TA06732K]

7. Lei Zhenyu, Sun Honglei, Dong Zhehan, Sun Shuaishuai, Bi Chongyao, Zhan Junling, Wu Lin, Jia Mingjun.  (2024)  Prussian Blue Analogue Derived N-Doped Graphitic Carbon Wrapped Iron-Cobalt Nanoparticles as Recyclable Heterogeneous Catalysts for Friedel-Crafts Acylation.  CHEMICAL RESEARCH IN CHINESE UNIVERSITIES,      [PMID:] [10.1007/s40242-024-4020-x]