4-Chloro-2-fluoroaniline

Base Information

• Chemical Name: 4-Chloro-2-fluoroaniline
• CAS No.: 57946-56-2
• Molecular Formula: C6H5ClFN
• Molecular Weight: 145.564
• Hs Code.: 29214200
• European Community (EC) Number: 261-034-1
• DSSTox Substance ID: DTXSID00206666
• Nikkaji Number: J208.279I
• Wikidata: Q72450437
• Mol file: 57946-56-2.mol

Synonyms:2-Fluoro-4-chloroaniline;4-Chloro-2-fluorophenylamine;4-Chloro-2-fluorobenzenamine;

Chemical Property of 4-Chloro-2-fluoroaniline

Chemical Property:

• Appearance/Colour: clear slightly yellow to orange-brown liquid
• Refractive Index: n20/D 1.56(lit.)
• Boiling Point: 205.558 °C at 760 mmHg
• PKA: 2.57±0.10(Predicted)
• Flash Point: 98.889 °C
• PSA: 26.02000
• Density: 1.349 g/cm³
• LogP: 2.64250
• Storage Temp.: Room temperature.
• Water Solubility.: slightly soluble
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 145.0094550
• Heavy Atom Count: 9
• Complexity: 99.1

Purity/Quality:

99% ^*data from raw suppliers

4-Chloro-2-fluoroaniline ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn, T, Xi
• Hazard Codes: Xn,T,Xi
• Statements: 20/21/22-36/37/38-23/24/25
• Safety Statements: 26-37/39-36/37/39-45

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC(=C(C=C1Cl)F)N
• Uses: 4-Chloro-2-fluoroaniline is a compound used in the synthesis of 4-Chloro-2-fluoro-3-iodobenzenamine (1000590-87-3).

Technology Process of 4-Chloro-2-fluoroaniline

There total 12 articles about 4-Chloro-2-fluoroaniline 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: 95.6%

4'-chloro-2'-fluoroacetanilide (59280-70-5) → 2-fluoro-4-chloroaniline (57946-56-2)

Guidance literature:

With sodium hydroxide; water; In ethanol; for 3h; Reflux;

DOI:10.1515/HC.2008.14.6.397

Reference yield: 88.0%

2-Fluoroaniline (348-54-9) → 2-fluoro-4-chloroaniline (57946-56-2)

Guidance literature:

With copper dichloride; 1-hexyl-3-methylimidazol-1-ium chloride; at 40 ℃; for 4h; regioselective reaction;

DOI:10.3762/bjoc.8.84

Reference yield:

N-(2-fluorophenyl)acetamide (399-31-5) → 2-fluoro-4-chloroaniline (57946-56-2) + 4'-chloro-2'-fluoroacetanilide (59280-70-5)

Guidance literature:

With chlorine; In acetic acid;

upstream raw materials:

4-chloro-2-fluorobenzoic acid

4-chloro-aniline

4'-chloro-2'-fluoroacetanilide

N-(2-fluorophenyl)acetamide

Downstream raw materials:

2-(4-chloro-2-fluorophenyl)-2,3,4,5,6,7-hexahydro-1H-isoindol-1,3-dione

N-(4-chloro-2-fluorophenyl)-3,4,5,6-tetrahydroisophthalimide

4-chloro-2-fluorobenzonitrile

N-(4-chloro-2-fluorophenyl)pivalamide