5-Chloro-2-fluoroaniline

Base Information

• Chemical Name: 5-Chloro-2-fluoroaniline
• CAS No.: 2106-05-0
• Molecular Formula: C6H5ClFN
• Molecular Weight: 145.564
• Hs Code.: 29214200
• European Community (EC) Number: 218-284-1
• NSC Number: 10291
• UNII: EMD2GPF3XZ
• DSSTox Substance ID: DTXSID40175286
• Nikkaji Number: J298.696E
• Wikidata: Q72450428
• Mol file: 2106-05-0.mol

Synonyms:5-Chloro-2-fluoroaniline;2106-05-0;5-Chloro-2-fluorophenylamine;Benzenamine, 5-chloro-2-fluoro-;2-fluoro-5-chloroaniline;EMD2GPF3XZ;MFCD00069416;NSC-10291;NSC10291;UNII-EMD2GPF3XZ;5-chloro-2-fluorobenzenamine;SCHEMBL112517;JCYROOANFKVAIB-UHFFFAOYSA-;DTXSID40175286;5-Chloro-2-fluoroaniline, 97%;EINECS 218-284-1;NSC 10291;STL169013;AKOS000121384;AC-3670;AM61842;CS-W010995;PS-8959;A4567;C1596;FT-0620240;EN300-21477;W-111714

Chemical Property of 5-Chloro-2-fluoroaniline

Chemical Property:

• Appearance/Colour: COLORLESS TO BROWN LIQUID
• Vapor Pressure: 0.0567mmHg at 25°C
• Refractive Index: n20/D 1.561(lit.)
• Boiling Point: 214.4 °C at 760 mmHg
• PKA: 2.15±0.10(Predicted)
• Flash Point: 83.5 °C
• PSA: 26.02000
• Density: 1.349 g/cm³
• LogP: 2.64250
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• 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:

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

Safty Information:

• Pictogram(s): Xn, Xi, T
• Hazard Codes: Xi,T,Xn
• Statements: 36/37/38-20/21/22-23/24/25
• Safety Statements: 26-36-2636/37/39-23-36/37/39-45

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC(=C(C=C1Cl)N)F

Technology Process of 5-Chloro-2-fluoroaniline

There total 8 articles about 5-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:

2-fluoro-5-chloronitrobenzene (345-18-6) → 2-Fluoroaniline (348-54-9) + 5-chloro-2-fluoroaniline (2106-05-0)

Guidance literature:

With 5%-palladium/activated carbon; hydrazine hydrate; In methanol; at 80 ℃; for 0.0833333h; Overall yield = 25 %;

DOI:10.1055/s-0033-1339025

Reference yield:

2-fluoro-5-chloronitrobenzene (345-18-6) → 5-chloro-2-fluoroaniline (2106-05-0)

Guidance literature:

With hydrogen; platinum on activated charcoal; In 1,2-dimethoxyethane; for 24h; under 2585.74 Torr;

Reference yield:

2,5-dichloronitrobenzene (89-61-2) → 5-chloro-2-fluoroaniline (2106-05-0)

Guidance literature:

Multi-step reaction with 2 steps

1: 52 percent / KF; 18-crown-6 / tetrahydrothiophene 1,1-dioxide / 32 h / 180 °C

2: H₂ / 5 percent Pt/C / 1,2-dimethoxy-ethane / 24 h / 2585.74 Torr

With potassium fluoride; 18-crown-6 ether; hydrogen; platinum on activated charcoal; In sulfolane; 1,2-dimethoxyethane; 1: Substitution / 2: Catalytic hydrogenation;

upstream raw materials:

2-fluoro-5-chloronitrobenzene

2,5-dichloronitrobenzene

3,3'-dichloroazobenzene

Downstream raw materials:

C₁₃H₁₀ClFN₂O₂

1-(5-chloro-2-fluorophenyl)-3-(5-chloro-1,3-dimethyl-1H-pyrazole-4-carbonyl)thiourea

C₂₅H₂₈ClFN₄O₄

N,N'-bis(1-adamantyl)urea

Refernces

• 1、 Li, Fang,Frett, Brendan,Li, Hong-Yu. "Selective reduction of halogenated nitroarenes with hydrazine hydrate in the presence of Pd/C". . p. 1403 - 1408. Retrieved 2014/06/23.