2-(3-Chlorophenoxy)aniline

Base Information

• Chemical Name: 2-(3-Chlorophenoxy)aniline
• CAS No.: 76838-73-8
• Molecular Formula: C12H10ClNO
• Molecular Weight: 219.66700
• Hs Code.: 2922299090
• European Community (EC) Number: 692-809-6
• DSSTox Substance ID: DTXSID10542724
• Wikidata: Q82419472
• Mol file: 76838-73-8.mol

Synonyms:2-(3-chlorophenoxy)aniline;76838-73-8;2-(3-chlorophenoxy)benzenamine;SCHEMBL633342;DTXSID10542724;AMY15047;AKOS000215007;SB79435;CS-0326428;C78455;A1-02623

Chemical Property of 2-(3-Chlorophenoxy)aniline

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 321.723oC at 760 mmHg
• Flash Point: 148.373oC
• PSA: 35.25000
• Density: 1.261g/cm3
• LogP: 4.29570
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 219.0450916
• Heavy Atom Count: 15
• Complexity: 200

Purity/Quality:

98%min ^*data from raw suppliers

2-(3-Chlorophenoxy)aniline ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C(=C1)N)OC2=CC(=CC=C2)Cl

Technology Process of 2-(3-Chlorophenoxy)aniline

There total 4 articles about 2-(3-Chlorophenoxy)aniline 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: 45.0%

1-(3-chlorophenoxy)-2-nitrobenzene (92721-70-5) → 2-(3-chlorophenoxy)aniline (76838-73-8)

Guidance literature:

With hydrogenchloride; tin(II) chloride dihdyrate; In methanol; for 0.25h; Reflux;

DOI:10.1021/ja504378p

Reference yield:

3-monochlorophenol (108-43-0) → 2-(3-chlorophenoxy)aniline (76838-73-8)

Guidance literature:

Multi-step reaction with 2 steps

1: potassium hydroxide; copper powder

2: iron; diluted iron chloride / 100 °C

With potassium hydroxide; iron(III) chloride; iron; copper;

Reference yield:

ortho-nitrofluorobenzene (1493-27-2,127723-77-7) → 2-(3-chlorophenoxy)aniline (76838-73-8)

Guidance literature:

Multi-step reaction with 2 steps

1: potassium carbonate / N,N-dimethyl-formamide / 3 h / 80 °C / Inert atmosphere

2: hydrogenchloride; tin(II) chloride dihdyrate / methanol / 0.25 h / Reflux

With hydrogenchloride; tin(II) chloride dihdyrate; potassium carbonate; In methanol; N,N-dimethyl-formamide;

DOI:10.1021/ja504378p

upstream raw materials:

1-(3-chlorophenoxy)-2-nitrobenzene

3-monochlorophenol

3-chlorobenzenediazonium

ortho-nitrofluorobenzene

Downstream raw materials:

1-Benzoyl-3-[2-(3-chloro-phenoxy)-phenyl]-thiourea

2'-Isocyanato-3-chlor-diphenyloxyd

[2-(3-Chloro-phenoxy)-phenyl]-thiourea

[2-(3-Chloro-phenoxy)-phenyl]-imidazolidin-2-ylidene-amine