Ethyl 3,4,5-trichlorobenzoate

Base Information

• Chemical Name: Ethyl 3,4,5-trichlorobenzoate
• CAS No.: 120530-42-9
• Molecular Formula: C9H7Cl3O2
• Molecular Weight: 253.512
• Mol file: 120530-42-9.mol

Synonyms:ethyl 3,4,5-trichlorobenzoate;120530-42-9;Benzoic acid, 3,4,5-trichloro-, ethyl ester;SCHEMBL8950683;MFCD14704256;AKOS005061395;CS-0193464;E91035

Chemical Property of Ethyl 3,4,5-trichlorobenzoate

Chemical Property:

• XLogP3: 4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 251.951163
• Heavy Atom Count: 14
• Complexity: 198

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Ethyl 3,4,5-trichlorobenzoate

There total 4 articles about Ethyl 3,4,5-trichlorobenzoate 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-amino-3,5-dinitrobenzoic acid (7221-27-4) → ethyl 3,4,5-trichlorobenzoate (120530-42-9)

Guidance literature:

Multi-step reaction with 2 steps

1: fuming hydrochloric acid / 200 - 210 °C

2: HCl

With hydrogenchloride;

Reference yield:

3,5-dinitro-4-methoxybenzoic acid (85365-92-0) → ethyl 3,4,5-trichlorobenzoate (120530-42-9)

Guidance literature:

Multi-step reaction with 3 steps

1: aqueous ammonia

2: fuming hydrochloric acid / 200 - 210 °C

3: HCl

With hydrogenchloride; ammonium hydroxide;

Reference yield:

4-ethoxy-3,5-dinitro-benzoic acid ethyl ester (860698-40-4) → ethyl 3,4,5-trichlorobenzoate (120530-42-9)

Guidance literature:

Multi-step reaction with 3 steps

1: aqueous ammonia / 100 °C / im Druckrohr

2: fuming hydrochloric acid / 200 - 210 °C

3: HCl

With hydrogenchloride; ammonium hydroxide;

upstream raw materials:

ethanol

3,4,5-trichlorobenzoic acid

4-amino-3,5-dinitrobenzoic acid

3,5-dinitro-4-methoxybenzoic acid

Downstream raw materials:

ethyl 3,5-dichloro-4-fluorobenzoate

3,4,5-trichlorobenzaldehyde

2,4-bis(trifluoromethyl)benzaldehyde

3-Chloro-4,5-difluoro-benzoic acid ethyl ester