4-Fluorobenzophenone

Base Information

• Chemical Name: 4-Fluorobenzophenone
• CAS No.: 345-83-5
• Molecular Formula: C13H9FO
• Molecular Weight: 200.212
• Hs Code.: DERIVATION
• European Community (EC) Number: 206-463-7
• NSC Number: 88321
• UNII: JKA6JRZ9CD
• DSSTox Substance ID: DTXSID00188059
• Nikkaji Number: J193.797I
• Wikidata: Q63398308
• Mol file: 345-83-5.mol

Synonyms:4-Fluorobenzophenone;345-83-5;(4-Fluorophenyl)(phenyl)methanone;p-Fluorobenzophenone;(4-fluorophenyl)-phenylmethanone;Methanone, (4-fluorophenyl)phenyl-;4-fluorophenyl phenyl ketone;JKA6JRZ9CD;MFCD00000352;EINECS 206-463-7;NSC 88321;NSC-88321;p-Fluorbenzophenon;4'-fluorobenzophenone;UNII-JKA6JRZ9CD;Benzophenone, 4-fluoro-;Maybridge4_003548;p-Fluorophenyl phenyl ketone;4-Fluorobenzophenone, 97%;NCIOpen2_001224;SCHEMBL251921;(4-Fluorophenyl)phenylmethanone;DTXSID00188059;HMS1531B06;BCP26357;NSC88321;(4-Fluorophenyl)(phenyl)methanone #;AC9763;AKOS000118864;CCG-245108;AS-10881;SY048330;CS-0130360;F0161;FT-0618513;EN300-19553;W-106723;BRD-K22255991-001-01-8;Q63398308

Chemical Property of 4-Fluorobenzophenone

Chemical Property:

• Appearance/Colour: light beige crystalline powder
• Vapor Pressure: 0.00102mmHg at 25°C
• Melting Point: 47-49 °C(lit.)
• Refractive Index: 1.566
• Boiling Point: 301.9 °C at 760 mmHg
• Flash Point: 130.2 °C
• PSA: 17.07000
• Density: 1.165 g/cm³
• LogP: 3.05670
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: Benzene, Hexanes
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 200.063743068
• Heavy Atom Count: 15
• Complexity: 213

Purity/Quality:

99% ^*data from raw suppliers

4-Fluorobenzophenone ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-37/39-24/25-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Other Classes -> Benzophenones
• Canonical SMILES: C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)F
• Uses: 4-Fluorobenzophenone is a Wittig reagent.

Technology Process of 4-Fluorobenzophenone

There total 236 articles about 4-Fluorobenzophenone which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 99.0%

1-(4-fluorophenyl)-1-phenylethylene (395-21-1) → 4-fluorobenzophenone (345-83-5)

Guidance literature:

With oxygen; at 110 ℃; for 8h; Schlenk technique; Green chemistry;

DOI:10.1039/d1ra02007b

Reference yield: 98.0%

4-fluoroboronic acid (1765-93-1) + benzoyl chloride (98-88-4) → 4-fluorobenzophenone (345-83-5)

Guidance literature:

With C₃₀H₃₈Cl₂N₈Pd⁽²⁺⁾*2Cl^(1-); sodium carbonate; In water; acetone; at 60 ℃; for 12h;

DOI:10.1016/j.tetlet.2011.05.079

Reference yield: 98.0%

4-fluoroboronic acid (1765-93-1) + benzoic acid anhydride (93-97-0) → 4-fluorobenzophenone (345-83-5)

Guidance literature:

With NHC-Pd(II)-Im; sodium hydrogencarbonate; In water; at 20 ℃; for 12h; Inert atmosphere;

DOI:10.1016/j.tet.2012.05.016

upstream raw materials:

4-(triethoxysilyl)benzophenone

pentafluorophenyl benzoate

4-fluoroboronic acid

fluorobenzene

Downstream raw materials:

1-(4-fluorophenyl)-1-phenylethylene

N,N-dimethyl-2-p-fluorophenyl-2-phenyl-2-hydroxythioacetamide

(4-(4-methoxyphenoxy)phenyl)(phenyl)methanone

4-fluorophenyl benzoate

Refernces

• 1、 -. "Method for preparing aldehyde ketone compound through olefin oxidation". Paragraph 0019. . Retrieved 2021/04/07.
• 2、 Zhang, Yilan,Yue, Xiaoguang,Liang, Chenfeng,Zhao, Jianming,Yu, Wenbo,Zhang, Pengfei. "Photo-induced oxidative cleavage of C-C double bonds of olefins in water". supporting information. . Retrieved 2021/08/27.