5-Amino-2,4-dichlorophenoxyacetic acid

Base Information

• Chemical Name: 5-Amino-2,4-dichlorophenoxyacetic acid
• CAS No.: 5397-71-7
• Molecular Formula: C8H7 Cl2 N O3
• Molecular Weight: 236.054
• Hs Code.: 2922509090
• European Community (EC) Number: 226-423-2
• NSC Number: 4250
• DSSTox Substance ID: DTXSID60202265
• Nikkaji Number: J217.953I
• Wikidata: Q83075537
• Mol file: 5397-71-7.mol

Synonyms:5397-71-7;5-Amino-2,4-dichlorophenoxyacetic acid;EINECS 226-423-2;2-(5-amino-2,4-dichlorophenoxy)acetic acid;NSC4250;DTXSID60202265;NSC 4250;NSC-4250;2,4-dichloro-5-aminophenoxyacetic acid

Chemical Property of 5-Amino-2,4-dichlorophenoxyacetic acid

Chemical Property:

• Vapor Pressure: 1.37E-07mmHg at 25°C
• Boiling Point: 413.8°C at 760 mmHg
• Flash Point: 204.1°C
• PSA: 72.55000
• Density: 1.565g/cm³
• LogP: 2.62020
• XLogP3: 2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 234.9802985
• Heavy Atom Count: 14
• Complexity: 215

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C(=CC(=C1OCC(=O)O)Cl)Cl)N

Technology Process of 5-Amino-2,4-dichlorophenoxyacetic acid

There total 2 articles about 5-Amino-2,4-dichlorophenoxyacetic acid 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:

(2,4-dichloro-5-nitro-phenoxy)-acetic acid (83631-29-2) → (5-amino-2,4-dichloro-phenoxy)-acetic acid (5397-71-7)

Guidance literature:

With ammonium hydroxide; iron(II) sulfate;

DOI:10.1021/jo01157a026

Reference yield:

2,4-Dichlorophenoxyacetic acid (94-75-7,89300-30-1) → (5-amino-2,4-dichloro-phenoxy)-acetic acid (5397-71-7)

Guidance literature:

Multi-step reaction with 2 steps

1: HNO₃ / 30 - 40 °C

2: iron (II)-sulfate; aqueous ammonia

With ammonium hydroxide; nitric acid; iron(II) sulfate;

DOI:10.1021/jo01157a026

Reference yield:

(5-amino-2,4-dichloro-phenoxy)-acetic acid (5397-71-7) → (2,4-dichloro-5-iodo-phenoxy)-acetic acid (74332-75-5)

Guidance literature:

With sulfuric acid; at 0 - 5 ℃; Diazotization_.Erwaermen der Diazoniumsalz-Loesung mit KI auf 70-80grad;

DOI:10.1021/jo01157a026

upstream raw materials:

(2,4-dichloro-5-nitro-phenoxy)-acetic acid

2,4-Dichlorophenoxyacetic acid

Downstream raw materials:

(2,4-dichloro-5-iodo-phenoxy)-acetic acid