Ethyl 3,5-dibromo-4-hydroxybenzoate

Base Information

• Chemical Name: Ethyl 3,5-dibromo-4-hydroxybenzoate
• CAS No.: 55771-81-8
• Molecular Formula: C9H8 Br2 O3
• Molecular Weight: 323.969
• Hs Code.: 2918290000
• European Community (EC) Number: 259-805-2
• NSC Number: 87149
• UNII: DLB3WF8CX4
• DSSTox Substance ID: DTXSID0069048
• Nikkaji Number: J296.495C
• Wikidata: Q81995842
• Mol file: 55771-81-8.mol

Synonyms:Ethyl 3,5-dibromo-4-hydroxybenzoate;55771-81-8;Ethyl 4-hydroxy-3,5-dibromobenzoate;Benzoic acid, 3,5-dibromo-4-hydroxy-, ethyl ester;DLB3WF8CX4;EINECS 259-805-2;NSC 87149;NSC-87149;NSC87149;UNII-DLB3WF8CX4;NCIOpen2_009306;DTXSID0069048;Ethyl3,5-dibromo-4-hydroxybenzoate;MFCD06204348;AKOS022173307;Ethyl 3,5-dibromo-4-hydroxybenzoate #;3,5-Dibromo-4-hydroxybenzoic acid ethyl ester;F88017;Benzoic acid,5-dibromo-4-hydroxy-, ethyl ester

Chemical Property of Ethyl 3,5-dibromo-4-hydroxybenzoate

Chemical Property:

• Vapor Pressure: 0.000289mmHg at 25°C
• Boiling Point: 312.4°Cat760mmHg
• Flash Point: 142.7°C
• PSA: 46.53000
• Density: 1.855g/cm³
• LogP: 3.09390
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 323.88197
• Heavy Atom Count: 14
• Complexity: 198

Purity/Quality:

99% ^*data from raw suppliers

Ethyl3,5-dibromo-4-hydroxybenzoate 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Ethyl 3,5-dibromo-4-hydroxybenzoate

There total 4 articles about Ethyl 3,5-dibromo-4-hydroxybenzoate 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: 97.0%

Ethyl 4-hydroxybenzoate (120-47-8) → 3,5-dibromo-4-hydroxy-benzoic acid ethyl ester (55771-81-8)

Guidance literature:

With benzyltrimethylammonium tribromide; calcium carbonate; In methanol; dichloromethane;

DOI:10.1246/bcsj.62.3373

Reference yield:

4-hydroxy-benzoic acid (99-96-7) → 3,5-dibromo-4-hydroxy-benzoic acid ethyl ester (55771-81-8)

Guidance literature:

Multi-step reaction with 2 steps

1: glacial acetic acid; iodine; bromine

2: mineral acid

With mineral acid; bromine; iodine; acetic acid;

Reference yield:

ethanol (64-17-5) + 3,5-dibromo-4-hydroxybenzoic acid (3337-62-0) → 3,5-dibromo-4-hydroxy-benzoic acid ethyl ester (55771-81-8)

Guidance literature:

With mineral acid;

upstream raw materials:

ethanol

3,5-dibromo-4-hydroxybenzoic acid

Ethyl 4-hydroxybenzoate

4-hydroxy-benzoic acid

Downstream raw materials:

ethyl 3,5-dibromo-4-({[2-(phenylcarbonyl)phenyl]carbonyl}oxy)benzoate