2,3,5-Trichloroaniline

Base Information

• Chemical Name: 2,3,5-Trichloroaniline
• CAS No.: 18487-39-3
• Molecular Formula: C6H4 Cl3 N
• Molecular Weight: 196.463
• Hs Code.: 2921420090
• European Community (EC) Number: 242-373-4
• UNII: 7D27GT9JNH
• DSSTox Substance ID: DTXSID40171667
• Nikkaji Number: J222.217E
• Wikidata: Q83041786
• Mol file: 18487-39-3.mol

Synonyms:2,3,5-Trichloroaniline;18487-39-3;Benzenamine, 2,3,5-trichloro-;2,3,5-Trichlorobenzenamine;EINECS 242-373-4;7D27GT9JNH;UNII-7D27GT9JNH;SCHEMBL3161558;DTXSID40171667;AMY28295;MFCD04114058;AKOS006294647;DS-10256;CS-0060180;I11437;EN300-1610768;2,3,5-Trichloroaniline 100 microg/mL in Acetonitrile

Chemical Property of 2,3,5-Trichloroaniline

Chemical Property:

• Vapor Pressure: 0.00271mmHg at 25°C
• Melting Point: 73 °C
• Boiling Point: 286°Cat760mmHg
• PKA: 0.54±0.10(Predicted)
• Flash Point: 126.8°C
• PSA: 26.02000
• Density: 1.54g/cm³
• LogP: 3.81020
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 194.940932
• Heavy Atom Count: 10
• Complexity: 120

Purity/Quality:

99%, ^*data from raw suppliers

2,3,5-Trichloroaniline ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C=C(C(=C1N)Cl)Cl)Cl

Technology Process of 2,3,5-Trichloroaniline

There total 6 articles about 2,3,5-Trichloroaniline 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: 50.0%

3,5-Dichloroaniline (626-43-7) → 2,3,5-trichloroaniline (18487-39-3)

Guidance literature:

With N-chloro-succinimide; In toluene; at 80 ℃; for 1h;

DOI:10.1007/s002440010298

Reference yield:

2,3,5-trichloronitrobenzene (34283-94-8) → 2,3,5-trichloroaniline (18487-39-3)

Guidance literature:

With hydrogenchloride; iron;

Reference yield:

3-chloro-4-nitroaniline (825-41-2) → 2,3,5-trichloroaniline (18487-39-3)

Guidance literature:

Multi-step reaction with 3 steps

1: potassium chlorate; hydrochloric acid / 50 °C

2: Diazotization_.Verkochen mit Alkohol

3: iron; acetic acid

With hydrogenchloride; potassium chlorate; iron; acetic acid;

upstream raw materials:

2,3,5-trichloronitrobenzene

acetic acid

3,5-Dichloroaniline

3-chloro-4-nitroaniline

Downstream raw materials:

2,2',3,3',4,5,5',6-octachlorobiphenyl

2,3,5-trichlorobenzenediazonium trichloromercurate(II)

3,5-Dichloroaniline

1,2,4-trichloro-3-iodobenzene

Refernces