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1-(3-Fluorophenyl)imidazole is a chemical compound that features an imidazole ring with a 3-fluorophenyl substituent at the 1-position. It is a derivative of both imidazole and fluorobenzene, known for its applications in organic synthesis and pharmaceutical research. The incorporation of the fluorophenyl group enhances the compound's utility in exploring the structure-activity relationships of drug molecules and in the development of potential drug candidates. Its investigation for anti-fungal and anti-cancer properties positions 1-(3-fluorophenyl)imidazole as a significant subject of interest in medicinal chemistry and drug discovery.

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  • 25372-42-3 Structure
  • Basic information

    1. Product Name: 1-(3-FLUOROPHENYL)IMIDAZOLE
    2. Synonyms: 1-(3-FLUOROPHENYL)IMIDAZOLE;1-(3-Fluorophenyl)imidazole 99%;1-(3-Fluorophenyl)imidazole99%
    3. CAS NO:25372-42-3
    4. Molecular Formula: C9H7FN2
    5. Molecular Weight: 162.16
    6. EINECS: N/A
    7. Product Categories: Imidazol&Benzimidazole
    8. Mol File: 25372-42-3.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 80 °C
    3. Flash Point: 123.9 °C
    4. Appearance: /
    5. Density: 1.16 g/cm3
    6. Vapor Pressure: 0.00614mmHg at 25°C
    7. Refractive Index: 1.574
    8. Storage Temp.: N/A
    9. Solubility: N/A
    10. PKA: 5.27±0.10(Predicted)
    11. CAS DataBase Reference: 1-(3-FLUOROPHENYL)IMIDAZOLE(CAS DataBase Reference)
    12. NIST Chemistry Reference: 1-(3-FLUOROPHENYL)IMIDAZOLE(25372-42-3)
    13. EPA Substance Registry System: 1-(3-FLUOROPHENYL)IMIDAZOLE(25372-42-3)
  • Safety Data

    1. Hazard Codes: Xi
    2. Statements: 36/37/38-41
    3. Safety Statements: 26-36-39
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: IRRITANT
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 25372-42-3(Hazardous Substances Data)

25372-42-3 Usage

Uses

Used in Pharmaceutical Research:
1-(3-Fluorophenyl)imidazole is used as a research compound for studying the structure-activity relationships of drug molecules, aiding in the design and optimization of new pharmaceutical agents.
Used in Organic Synthesis:
1-(3-FLUOROPHENYL)IMIDAZOLE serves as a key intermediate in the synthesis of various organic compounds, contributing to the development of novel chemical entities.
Used in Medicinal Chemistry:
1-(3-Fluorophenyl)imidazole is used as a potential anti-fungal agent, targeting fungal infections by disrupting essential cellular processes in fungi.
Used in Drug Discovery:
In the field of drug discovery, 1-(3-Fluorophenyl)imidazole is utilized for its potential anti-cancer properties, offering a new avenue for the development of cancer therapeutics.
Used in Chemical Compound Development:
It is employed as a building block in the creation of new chemical compounds, expanding the scope of chemical libraries for screening and further research.

Check Digit Verification of cas no

The CAS Registry Mumber 25372-42-3 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 2,5,3,7 and 2 respectively; the second part has 2 digits, 4 and 2 respectively.
Calculate Digit Verification of CAS Registry Number 25372-42:
(7*2)+(6*5)+(5*3)+(4*7)+(3*2)+(2*4)+(1*2)=103
103 % 10 = 3
So 25372-42-3 is a valid CAS Registry Number.
InChI:InChI=1/C9H7FN2/c10-8-2-1-3-9(6-8)12-5-4-11-7-12/h1-7H

25372-42-3SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 14, 2017

Revision Date: Aug 14, 2017

1.Identification

1.1 GHS Product identifier

Product name 1-(3-Fluorophenyl)imidazole

1.2 Other means of identification

Product number -
Other names 1-(3-FLUOROPHENYL)IMIDAZOLE

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:25372-42-3 SDS

25372-42-3Downstream Products

25372-42-3Relevant articles and documents

Reactivity of Ruthenium(II) Complexes Bearing Bis-NHC Ligands

Dutschke, Patrick D.,Hahn, F. Ekkehardt,Hepp, Alexander,Lübbering, Tobias

supporting information, p. 3775 - 3784 (2021/11/17)

Bis-imidazolium salts bearing N-2-fluorobenzyl substituents and methylene, ethylene, or propylene linkers ([H2-4]Br2-[H2-6]Br2) and the bis-imidazolium salt [H2-8]Br2 featuring an ethylene linker and N-3-fluorophenyl substituents have been prepared. Salts [H2-5]Br2 and [H2-6]Br2 react with [RuCl2(CO)2]n to give the bis-NHC chelate complexes [9] and [10]. Chloride substitution in [10] for the 2-nitrophenyl isocyanide ligand 11 yielded the complex [12]PF6. The nitro group of the isocyanide in [12]PF6 could not be reduced. Salts [H2-4]Br2 and [H2-5]Br2 yield with [RuCp*(MeCN)3]PF6 the chelate complexes [13]PF6 and [14]PF6, respectively. The propylene-bridged bis-imidazolium salt [H2-6]Br2 reacts with [RuCp*(MeCN)3]PF6 to give, via an oxidative addition of a C-H bond of the central methylene group of the linker, the seven-coordinate RuIV complex [15]PF6 bearing a tridentate CNHCCalkylCNHC ligand and a hydrido ligand. Introduction of a nitrophenyl isocyanide ligand to [14]PF6 and reduction of the nitro group to the primary amine was also possible. Finally, [H2-8]Br2 reacts with [RuCp*(MeCN)3]PF6 to give, after intramolecular oxidative addition of a Caryl-H bond followed by reductive elimination of an imidazolium group, the complex [20]PF6 bearing a unique tridentate CarylCNHCC=Cimidazolium chelate ligand.

Steric effects on acetate-assisted cyclometallation ofmeta-substitutedN-phenyl andN-benzyl imidazolium salts at [MCl2Cp*]2(M = Ir, Rh)

Davies, David L.,Singh, Kuldip,Tamosiunaite, Neringa

, p. 13505 - 13515 (2021/10/12)

meta-SubstitutedN-phenyl,N′-methyl andN-benzyl,N′-methyl imidazolium salts undergo acetate-assisted cyclometallation to provide mixtures oforthoandparasubstituted cyclometallated complexes. The effect of the substituents on the isomer ratios is discussed; steric effects are more important in the 6-membered rings derived from theN-benzyl imidazolium salts than 5-membered rings from theN-phenyl salts. Comparisons are made to steric effects with some other common directing groups.

A facile one-step approach for the synthesis of uniform spherical Cu/Cu2O nano- and microparticles with high catalytic activity in the Buchwald-Hartwig amination reaction

Bhosale, Manohar A.,Bhanage, Bhalchandra M.

, p. 15122 - 15130 (2014/04/17)

In the present work, we have developed a rapid, one step, calcination-free protocol for the synthesis of uniform spherical Cu/Cu2O nano/microparticles (NMPs). The synthesis of Cu/Cu2O NMPs was achieved by microwave irradiation of copper acetate as a precursor and 1,4-butanediol as a solvent in a few minutes. The prepared Cu/Cu2O NMPs gave 100% yield of uniform spherical morphology. 1,4-Butanediol plays a crucial role in reactions such as a solvent, reactant, stabilizer and capping agent which control the crystal morphology. The resultant product was characterized with the help of different techniques such as XRD, FEG-SEM, EDS, TEM, FT-IR, TPR, DSC-TGA, XPS and BET surface area analysis. The results confirm that the Cu/Cu2O NMPs had good crystallinity and were essentially pure. This is a simple, faster, inexpensive and additive-free protocol for synthesis of nanocrystalline Cu/Cu2O compared to the conventional method. These Cu/Cu2O NMPs showed excellent catalytic activity in the Buchwald-Hartwig amination coupling reaction. Notably the reaction does not require any ligand source, and requires low catalyst loading, and low temperature with catalyst recyclability. the Partner Organisations 2014.

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