4-Chloro-3-nitrophenyl acetate

Base Information

• Chemical Name: 4-Chloro-3-nitrophenyl acetate
• CAS No.: 39653-86-6
• Molecular Formula: C8H6ClNO4
• Molecular Weight: 215.593
• DSSTox Substance ID: DTXSID20381681
• Nikkaji Number: J621.892J
• Wikidata: Q82172664
• Mol file: 39653-86-6.mol

Synonyms:4-Chloro-3-nitrophenyl acetate;39653-86-6;SCHEMBL1865349;DTXSID20381681;Acetic acid 3-nitro-4-chlorophenyl ester

Chemical Property of 4-Chloro-3-nitrophenyl acetate

Chemical Property:

• PSA: 72.12000
• LogP: 2.69670
• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 214.9985354
• Heavy Atom Count: 14
• Complexity: 240

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(=O)OC1=CC(=C(C=C1)Cl)[N+](=O)[O-]

Technology Process of 4-Chloro-3-nitrophenyl acetate

There total 3 articles about 4-Chloro-3-nitrophenyl acetate 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:

3-nitro-4-chlorophenol (610-78-6) + acetic anhydride (108-24-7) → 4-chloro-3-nitrophenyl acetate (39653-86-6)

Guidance literature:

With sulfuric acid;

Reference yield:

meta-nitrophenol (554-84-7) → 4-chloro-3-nitrophenyl acetate (39653-86-6)

Guidance literature:

Multi-step reaction with 2 steps

1: KClO₃; aqueous HCl; chlorine

2: H₂SO₄

With hydrogenchloride; potassium chlorate; sulfuric acid; chlorine;

Reference yield:

1-chloro-4-ethoxy-2-nitrobenzene (89979-06-6) → 4-chloro-3-nitrophenyl acetate (39653-86-6)

Guidance literature:

Multi-step reaction with 2 steps

1: sulfuric acid

2: H₂SO₄

With sulfuric acid;

upstream raw materials:

3-nitro-4-chlorophenol

acetic anhydride

meta-nitrophenol

1-chloro-4-ethoxy-2-nitrobenzene

Downstream raw materials:

3-nitro-4-chlorophenol

acetic acid

acetic anhydride

Phenyl acetate

Refernces