4-Fluoroaniline hydrochloride

Base Information

• Chemical Name: 4-Fluoroaniline hydrochloride
• CAS No.: 2146-07-8
• Molecular Formula: C6H6 F N . Cl H
• Molecular Weight: 147.58
• Hs Code.: 2921440000
• DSSTox Substance ID: DTXSID50514622
• Mol file: 2146-07-8.mol

Synonyms:4-fluoroaniline;4-fluoroaniline hydrochloride

Chemical Property of 4-Fluoroaniline hydrochloride

Chemical Property:

• Melting Point: >200 °C(Solv: isopropanol (67-63-0))
• Boiling Point: 167 °C/27 mmHg
• PSA: 26.02000
• LogP: 2.79110
• Solubility.: soluble in Methanol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 147.0251051
• Heavy Atom Count: 9
• Complexity: 66.9

Purity/Quality:

97% ^*data from raw suppliers

4-Fluoroaniline Hydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1N)F.Cl

Technology Process of 4-Fluoroaniline hydrochloride

There total 7 articles about 4-Fluoroaniline hydrochloride 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%

p-azidofluorobenzene (3296-02-4) → p-fluoroaniline hydrochloride (2146-07-8)

Guidance literature:

p-azidofluorobenzene; With 1,3-diphenyl-disiloxane; triphenylphosphine; at 20 ℃; for 24h;

With water;

With hydrogenchloride; In 1,4-dioxane; chemoselective reaction;

DOI:10.1021/acs.joc.9b00831

Reference yield: 98.0%

4-Fluoronitrobenzene (350-46-9,178603-76-4) → p-fluoroaniline hydrochloride (2146-07-8)

Guidance literature:

4-Fluoronitrobenzene; With iododioxobis(triphenylphosphine)rhenium(V); phenylsilane; In toluene; for 0.666667h; Reflux;

With hydrogenchloride; In diethyl ether; toluene;

DOI:10.1021/jo9008657

Reference yield: 73.0%

4'-fluoroacetanilide (351-83-7) + ethylmagnesium bromide (925-90-6) → p-fluoroaniline hydrochloride (2146-07-8) + butanone (78-93-3)

Guidance literature:

4'-fluoroacetanilide; With 2-fluoropyridine; trifluoromethylsulfonic anhydride; In dichloromethane; at 0 ℃; for 0.5h;

ethylmagnesium bromide; With cerium(III) chloride; In tetrahydrofuran; dichloromethane; at -78 ℃; for 2h;

With hydrogenchloride; In ethyl acetate;

DOI:10.1016/j.cclet.2015.05.033

upstream raw materials:

4-Fluoronitrobenzene

4-fluoroaniline

dicyclohexylphosphinoyl chloride

4'-fluoroacetanilide

Downstream raw materials:

6-fluoro-3-(4-fluorophenyl)-3,4-dihydroquinazoline

2,5-bis-(4-fluoro-anilino)-[1,4]benzoquinone-bis-(4-fluoro-phenylimine)

N-(4-fluoro-phenyl)-N'-(4-methyl-6-oxo-1,6-dihydro-pyrimidin-2-yl)-guanidine

1-isopropyl-5-(4-fluorophenyl)biguanide