4-Bromo-2-hydroxybenzoic Acid

Base Information

• Chemical Name: 4-Bromo-2-hydroxybenzoic Acid
• CAS No.: 1666-28-0
• Molecular Formula: C7H5BrO3
• Molecular Weight: 217.019
• Hs Code.: 2918199090
• European Community (EC) Number: 624-267-3
• NSC Number: 109120
• DSSTox Substance ID: DTXSID90296399
• Nikkaji Number: J1.240.925G
• Wikidata: Q72456824
• Mol file: 1666-28-0.mol

Synonyms:4-Bromo-2-hydroxybenzoic Acid;1666-28-0;4-Bromosalicylic acid;4-Bromo-2-hydroxy-benzoic acid;Benzoic acid, 4-bromo-2-hydroxy-;4-bromanyl-2-oxidanyl-benzoic acid;MFCD06797970;4-Bromo-2-hydroxybenzoic acid, 97%;4-Bromo-2-hydroxybenzoicAcid;NSC109120;SCHEMBL467470;DTXSID90296399;FYAKLZKQJDBBKW-UHFFFAOYSA-N;STR09106;BBL100287;CK2193;STL553855;AKOS005147284;AC-3354;CS-W008739;NSC-109120;PS-3792;AM808215;SY004396;FT-0600940;EN300-53581;A19965;W-205954;Z367679208;IT4

Chemical Property of 4-Bromo-2-hydroxybenzoic Acid

Chemical Property:

• Vapor Pressure: 6.78E-05mmHg at 25°C
• Melting Point: 164-165 °C
• Refractive Index: 1.654
• Boiling Point: 330.2 °C at 760 mmHg
• PKA: 2.71±0.10(Predicted)
• Flash Point: 153.5 °C
• PSA: 57.53000
• Density: 1.861 g/cm³
• LogP: 1.85290
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 215.94221
• Heavy Atom Count: 11
• Complexity: 160

Purity/Quality:

99% ^*data from raw suppliers

4-Bromo-2-hydroxybenzoic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi,Xn
• Statements: 22-52/53
• Safety Statements: 22-24/25-61

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC(=C(C=C1Br)O)C(=O)O

Technology Process of 4-Bromo-2-hydroxybenzoic Acid

There total 17 articles about 4-Bromo-2-hydroxybenzoic 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: 100.0%

3-Carboxyphenol (99-06-9) → 4-bromosalicylic acid (1666-28-0)

Guidance literature:

With sulfuric acid; bromine; In acetic acid;

Reference yield: 100.0%

salicylic acid (69-72-7,25496-36-0,8052-31-1) → 4-bromosalicylic acid (1666-28-0)

Guidance literature:

With sulfuric acid; C₂₀H₂₂Br₂N₂O₅V; dihydrogen peroxide; In methanol; water; at 20 ℃; for 0.416667h; Catalytic behavior;

DOI:10.1080/00958972.2014.960405

Reference yield: 92.0%

4-bromosalicylaldehyde (22532-62-3) → 4-bromosalicylic acid (1666-28-0)

Guidance literature:

4-bromosalicylaldehyde; With iron(II,III) oxide; calcium peroxide; at 105 ℃; for 1.08333h;

at 5 ℃; for 2.08333h; Temperature;

upstream raw materials:

4-bromo-2-methoxybenzoic acid

4-Aminosalicylic acid

3-Bromophenol

carbon dioxide

Downstream raw materials:

2-hydroxy-4-(4-pyridyl)benzoic acid

Refernces

• 1、 Dunn,Penner. "". . p. 1699,1702. Retrieved 1967.
• 2、 -. "Synthesis method of 2-hydroxyl-4-bromobenzoic acid". Paragraph 0005; 0012; 0013. . Retrieved 2016/10/10.