2-(4-Chloro-5-methyl-2-nitrophenoxy)acetic acid

Base Information

• Chemical Name: 2-(4-Chloro-5-methyl-2-nitrophenoxy)acetic acid
• CAS No.: 416885-45-5
• Molecular Formula: C₉H₈ClNO₅
• Molecular Weight: 245.619
• DSSTox Substance ID: DTXSID70385937
• Mol file: 416885-45-5.mol

Synonyms:416885-45-5;2-(4-chloro-5-methyl-2-nitrophenoxy)acetic acid;(4-CHLORO-5-METHYL-2-NITROPHENOXY)ACETIC ACID;CHEMBRDG-BB 5488524;Cambridge id 5488524;Oprea1_612455;SCHEMBL16921275;DTXSID70385937;AKOS027391122;SR-01000210827;SR-01000210827-1

Chemical Property of 2-(4-Chloro-5-methyl-2-nitrophenoxy)acetic acid

Chemical Property:

• Vapor Pressure: 2.65E-08mmHg at 25°C
• Boiling Point: 434.1°C at 760 mmHg
• Flash Point: 216.3°C
• Density: 1.491g/cm³
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 245.0091000
• Heavy Atom Count: 16
• Complexity: 280

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(C=C1Cl)[N+](=O)[O-])OCC(=O)O

Technology Process of 2-(4-Chloro-5-methyl-2-nitrophenoxy)acetic acid

There total 2 articles about 2-(4-Chloro-5-methyl-2-nitrophenoxy)acetic 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:

4-chloro-3-methylphenoxyacetic acid (588-20-5) → (4-chloro-5-methyl-2-nitro-phenoxy)-acetic acid (416885-45-5)

Guidance literature:

With nitric acid;

Reference yield:

4-Chloro-3-methylphenol (59-50-7) → (4-chloro-5-methyl-2-nitro-phenoxy)-acetic acid (416885-45-5)

Guidance literature:

Multi-step reaction with 2 steps

1: NaOH-solution

2: concentrated nitric acid

With sodium hydroxide; nitric acid;

upstream raw materials:

4-chloro-3-methylphenoxyacetic acid

4-Chloro-3-methylphenol