3,5-Dibromosalicylic acid

Base Information

• Chemical Name: 3,5-Dibromosalicylic acid
• CAS No.: 3147-55-5
• Molecular Formula: C7H4Br2O3
• Molecular Weight: 295.915
• Hs Code.: 29182990
• European Community (EC) Number: 221-570-9
• NSC Number: 1062
• UNII: T5JO5UA21H
• DSSTox Substance ID: DTXSID3062869,DTXSID301184567
• Nikkaji Number: J208.335C
• Wikidata: Q223014
• Pharos Ligand ID: SNM1JZZ7ZVLQ
• ChEMBL ID: CHEMBL447448
• Mol file: 3147-55-5.mol

Synonyms:3,5-dbsa;3,5-dibromosalicylic acid

Chemical Property of 3,5-Dibromosalicylic acid

Chemical Property:

• Appearance/Colour: white to light yellow crystal powder
• Vapor Pressure: 3.13E-05mmHg at 25°C
• Melting Point: 224-227 °C(lit.)
• Refractive Index: 1.4947 (estimate)
• Boiling Point: 341.3 °C at 760 mmHg
• PKA: 1.96±0.14(Predicted)
• Flash Point: 160.2 °C
• PSA: 57.53000
• Density: 2.229 g/cm³
• LogP: 2.61540
• Storage Temp.: Store below +30°C.
• Water Solubility.: SLIGHTLY SOLUBLE
• XLogP3: 3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 295.85067
• Heavy Atom Count: 12
• Complexity: 186

Purity/Quality:

97% ^*data from raw suppliers

3,5-Dibromosalicylic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 22-24/25-37/39-26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C=C(C(=C1C(=O)O)O)Br)Br

Technology Process of 3,5-Dibromosalicylic acid

There total 51 articles about 3,5-Dibromosalicylic 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: 98.0%

salicylic acid (69-72-7,25496-36-0,8052-31-1) → 3,5-dibromosalicylic acid (3147-55-5)

Guidance literature:

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

DOI:10.1246/bcsj.62.3373

Reference yield:

salicylic acid (69-72-7,25496-36-0,8052-31-1) → 5-bromosalicyclic acid (89-55-4) + 3,5-dibromosalicylic acid (3147-55-5)

Guidance literature:

With bromine; iodine; acetic acid;

Reference yield:

salicylic acid (69-72-7,25496-36-0,8052-31-1) → 3-bromosalicylic acid (3883-95-2) + 5-bromosalicyclic acid (89-55-4) + 3,5-dibromosalicylic acid (3147-55-5)

Guidance literature:

With N-Bromosuccinimide; In acetonitrile; for 5h; Ambient temperature;

DOI:10.1021/jo9622993

upstream raw materials:

2,4-dibromo-6-trifluoromethyl-phenol

3,6,8-tribromo-4-methyl-coumarin

3,5-dibromo-2-hydroxymethyl benzoate

2,3,5-tribromo-benzoic acid

Downstream raw materials:

3,5-dibromo-2-hydroxymethyl benzoate

3,5-dibromo-2-hydroxy-benzoic acid-(4-bromo-phenyl ester)

3,5,3',5'-tetrabromo-2,2'-malonyldioxy-di-benzoic acid

3,5-Dibromosalicylaldehyde