Phenyl 3,5-dibromo-2-hydroxybenzoate

Base Information

• Chemical Name: Phenyl 3,5-dibromo-2-hydroxybenzoate
• CAS No.: 62547-35-7
• Molecular Formula: C13H8Br2O3
• Molecular Weight: 372.013
• DSSTox Substance ID: DTXSID10371859
• Wikidata: Q82159353
• Mol file: 62547-35-7.mol

Synonyms:phenyl 3,5-dibromo-2-hydroxybenzoate;62547-35-7;PHENYL3,5-DIBROMO-2-HYDROXYBENZOATE;DTXSID10371859

Chemical Property of Phenyl 3,5-dibromo-2-hydroxybenzoate

Chemical Property:

• Vapor Pressure: 5.96E-07mmHg at 25°C
• Melting Point: 110-112
• Refractive Index: 1.659
• Boiling Point: 399.4°C at 760 mmHg
• Flash Point: 195.3°C
• PSA: 46.53000
• Density: 1.826g/cm³
• LogP: 4.13640
• XLogP3: 4.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 371.88197
• Heavy Atom Count: 18
• Complexity: 292

Purity/Quality:

98%min ^*data from raw suppliers

PHENYL 3,5-DIBROMO-2-HYDROXYBENZOATE 95.00% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)OC(=O)C2=C(C(=CC(=C2)Br)Br)O

Technology Process of Phenyl 3,5-dibromo-2-hydroxybenzoate

There total 4 articles about Phenyl 3,5-dibromo-2-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: 82.0%

3,5-dibromosalicylic acid (3147-55-5) + phenol (108-95-2,27073-41-2) → 3,5-dibromo-2-hydroxy-benzoic acid phenyl ester (62547-35-7)

Guidance literature:

With trichlorophosphate; at 75 - 80 ℃; for 4h;

DOI:10.2478/s11696-010-0084-9

Reference yield:

phenyl Salicylate (118-55-8) → 3,5-dibromo-2-hydroxy-benzoic acid phenyl ester (62547-35-7)

Guidance literature:

With ethanol; bromine;

Reference yield:

phenyl Salicylate (118-55-8) + acetic acid (64-19-7,77671-22-8) → phenyl 5-bromo-2-hydroxybenzoate (10268-63-0) + 3,5-dibromo-2-hydroxy-benzoic acid phenyl ester (62547-35-7)

Guidance literature:

Bromierung;

upstream raw materials:

phenyl Salicylate

acetic acid

ethanol

bromine

Downstream raw materials:

C₁₃H₁₀Br₂N₂O₂

C₁₃H₁₀Br₂N₂O₂

3,5-dibromosalicylic acid

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