2-Chloro-4,5-difluoroaniline

Base Information

• Chemical Name: 2-Chloro-4,5-difluoroaniline
• CAS No.: 2613-32-3
• Molecular Formula: C6H4 Cl F2 N
• Molecular Weight: 163.554
• Hs Code.: 2921420090
• European Community (EC) Number: 677-615-1
• DSSTox Substance ID: DTXSID00602583
• Wikidata: Q82499711
• Mol file: 2613-32-3.mol

Synonyms:2-Chloro-4,5-difluoroaniline;2613-32-3;Benzenamine, 2-chloro-4,5-difluoro-;MFCD08448325;SCHEMBL1468371;2-chloro-4,5-difluoro-aniline;DTXSID00602583;ZNDPHOPPLHZBMV-UHFFFAOYSA-N;2-chloro-4 pound not5-difluoroaniline;AKOS006289889;CS-W014378;DS-7914;SY104437;DB-303006;EN300-98025;Z1198178482

Chemical Property of 2-Chloro-4,5-difluoroaniline

Chemical Property:

• Vapor Pressure: 0.184mmHg at 25°C
• Melting Point: 55-58℃
• Refractive Index: 1.543
• Boiling Point: 211.3°Cat760mmHg
• PKA: 1.70±0.10(Predicted)
• Flash Point: 81.6°C
• PSA: 26.02000
• Density: 1.459g/cm³
• LogP: 2.78160
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 163.0000331
• Heavy Atom Count: 10
• Complexity: 122

Purity/Quality:

98% ^*data from raw suppliers

2-Chloro-4,5-difluoroaniline ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C(=CC(=C1F)F)Cl)N

Technology Process of 2-Chloro-4,5-difluoroaniline

There total 2 articles about 2-Chloro-4,5-difluoroaniline 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-chloro-4,5-difluoronitrobenzene (771-76-6) → 2-chloro-4,5-difluoroaniline (2613-32-3)

Guidance literature:

With hydrogenchloride; tin(ll) chloride;

DOI:10.1021/ja01510a021

Reference yield:

4-chloro-1,2-difluorobenzene (696-02-6) → 2-chloro-4,5-difluoroaniline (2613-32-3)

Guidance literature:

Multi-step reaction with 2 steps

1: sulfuric acid; aqueous nitric acid

2: SnCl₂; aqueous HCl

With hydrogenchloride; sulfuric acid; nitric acid; tin(ll) chloride;

DOI:10.1021/ja01510a021

Reference yield: 71.2%

2-chloro-4,5-difluoroaniline (2613-32-3) → (2-chloro-4,5-difluorophenyl)hydrazine

Guidance literature:

2-chloro-4,5-difluoroaniline; With hydrogenchloride; sodium nitrite; at 0 ℃; for 0.5h;

With tin(ll) chloride; at 0 ℃; for 2h;

DOI:10.1016/j.bmc.2018.05.028

upstream raw materials:

2-chloro-4,5-difluoronitrobenzene

4-chloro-1,2-difluorobenzene

Downstream raw materials:

6-chloro-3,4-difluorophenol