3-Fluorostyrene

Base Information

• Chemical Name: 3-Fluorostyrene
• CAS No.: 350-51-6
• Molecular Formula: C8H7F
• Molecular Weight: 122.142
• Hs Code.: 29039990
• European Community (EC) Number: 206-504-9
• UNII: 4KL9ZU62L4
• DSSTox Substance ID: DTXSID40188533
• Nikkaji Number: J193.817G
• Wikidata: Q72477035
• Mol file: 350-51-6.mol

Synonyms:3-Fluorostyrene;350-51-6;1-Fluoro-3-vinylbenzene;1-ethenyl-3-fluorobenzene;m-Fluorostyrene;Benzene, 1-ethenyl-3-fluoro-;EINECS 206-504-9;3-fluoro-styrene;MFCD00000341;Styrene, m-fluoro-;1-Fluoro-3-vinylbenzene #;SCHEMBL49997;4KL9ZU62L4;DTXSID40188533;AM9968;CK2548;AKOS009156963;3-Fluorostyrene (stabilized with TBC);CS-W011194;PS-9217;F0409;FT-0615752;EN300-60993;3-Fluorostyrene, 97.0%(GC), contains 50ppm TBC as stabilizer;3-Fluorostyrene, contains 4-tert-butylcatechol as inhibitor, 98%

Chemical Property of 3-Fluorostyrene

Chemical Property:

• Appearance/Colour: clear colorless liquid
• Vapor Pressure: 2.97mmHg at 25°C
• Refractive Index: n20/D 1.517(lit.)
• Boiling Point: 161.416 °C at 760 mmHg
• Flash Point: 31.315 °C
• PSA: 0.00000
• Density: 1.021 g/cm³
• LogP: 2.46870
• Storage Temp.: 0-6°C
• Water Solubility.: Insoluble in water
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 122.053178385
• Heavy Atom Count: 9
• Complexity: 98.7

Purity/Quality:

99% ^*data from raw suppliers

3-Fluorostyrene ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi,F
• Hazard Codes: Xi,F
• Statements: 10-36-36/37/38
• Safety Statements: 16-26-33-37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C=CC1=CC(=CC=C1)F

Technology Process of 3-Fluorostyrene

There total 14 articles about 3-Fluorostyrene 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: 78.0%

vinyl acetate (108-05-4,9003-20-7) + 3-fluorobromobenzene (1073-06-9) → 3-fluorostyrene (350-51-6)

Guidance literature:

With 1,3-bis[(diphenylphosphino)propane]dichloronickel(II); lithium iodide; zinc; at 65 ℃; for 8h; Inert atmosphere; Sealed tube; Green chemistry;

DOI:10.1021/acs.orglett.1c04018

Reference yield: 71.0%

→ 3-fluorostyrene (350-51-6)

Guidance literature:

With n-butyllithium; In tetrahydrofuran; at 0 ℃; for 0.5h;

In tetrahydrofuran; at 0 - 20 ℃; for 1h;

Reference yield: 25.0%

dibromofluoromethane (1868-53-7) + spiro[2.4]hepta-4,6-diene (765-46-8) → 3-fluorostyrene (350-51-6)

Guidance literature:

With potassium hydroxide; N-benzyl-N,N,N-triethylammonium chloride; In ethanol; for 4h; Heating;

upstream raw materials:

3-fluorocinnamic acid

C₁₆H₁₂ClFO₄

dibromofluoromethane

spiro[2.4]hepta-4,6-diene

Downstream raw materials:

2-Brom-1-(3-fluor-phenyl)-ethylen

4-(methoxycarbonyl)benzyl alcohol

Refernces

• 1、 Geng, Jiao,Hu, Xingbang,Liu, Qiang,Wu, Youting,Yang, Liu,Yao, Chenfei. "Controlling the Lewis Acidity and Polymerizing Effectively Prevent Frustrated Lewis Pairs from Deactivation in the Hydrogenation of Terminal Alkynes". . p. 3685 - 3690. Retrieved 2021/05/31.
• 2、 Huang, Xia,Jin, Jian,Lei, Chuanhu,Su, Mincong. "Nickel-Catalyzed Reductive Cross-Coupling of Aryl Bromides with Vinyl Acetate in Dimethyl Isosorbide as a Sustainable Solvent". supporting information. . Retrieved 2022/01/15.