5-Bromo-2,4-dihydroxybenzoic acid

Base Information

• Chemical Name: 5-Bromo-2,4-dihydroxybenzoic acid
• CAS No.: 7355-22-8
• Molecular Formula: C7H5BrO4
• Molecular Weight: 233.018
• Hs Code.: 2918290000
• European Community (EC) Number: 230-881-9
• NSC Number: 60106
• DSSTox Substance ID: DTXSID8064640
• Nikkaji Number: J212.352E
• Wikidata: Q81991729
• ChEMBL ID: CHEMBL1253288
• Mol file: 7355-22-8.mol

Synonyms:5-Bromo-2,4-dihydroxybenzoic acid;7355-22-8;Benzoic acid, 5-bromo-2,4-dihydroxy-;2,4-Dihydroxy-5-bromobenzoic acid;5-Bromo-beta-resorcylic acid;5-bromo-2,4-dihydroxy-benzoic acid;5-Bromo-.beta.-resorcylic acid;beta-Resorcylic acid, 5-bromo-;.beta.-Resorcylic acid, 5-bromo-;EINECS 230-881-9;MFCD00002452;NSC 60106;NSC60106;SCHEMBL382803;CHEMBL1253288;DTXSID8064640;BCP11519;NSC-60106;AKOS015917646;AB00226;CS-W009491;AS-61597;FT-0620176;5-bromo-2,4-dihydroxybenzoic acid, AldrichCPR;A19112;D93185;EN300-197019

Chemical Property of 5-Bromo-2,4-dihydroxybenzoic acid

Chemical Property:

• Vapor Pressure: 2.13E-08mmHg at 25°C
• Melting Point: 208-210°C
• Refractive Index: 1.703
• Boiling Point: 436.7 °C at 760 mmHg
• PKA: 2.83±0.10(Predicted)
• Flash Point: 217.9 °C
• PSA: 77.76000
• Density: 2.026 g/cm³
• LogP: 1.55850
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 231.93712
• Heavy Atom Count: 12
• Complexity: 184

Purity/Quality:

97% ^*data from raw suppliers

5-Bromo-2,4-dihydroxy-benzoicAcidMethylEster ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R36/37/38:Irritating to eyes, respiratory system and skin.
• Hazard Codes: Xi
• Statements: 36/37/38-36
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 5-Bromo-2,4-dihydroxybenzoic acid

There total 3 articles about 5-Bromo-2,4-dihydroxybenzoic 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: 94.0%

4-Bromoresorcinol (6626-15-9) + carbon dioxide (124-38-9,18923-20-1) → 5-bromo-4-hydroxysalicylic acid (7355-22-8)

Guidance literature:

With 1,8-diazabicyclo[5.4.0]undec-7-ene; In acetonitrile; at 30 ℃; for 24h; under 15001.5 Torr; Autoclave;

DOI:10.1039/c9cc04550c

Reference yield: 94.0%

4-hydroxysalicylic acid (89-86-1) → 5-bromo-4-hydroxysalicylic acid (7355-22-8)

Guidance literature:

With bromine; acetic acid; at 20 ℃; regioselective reaction;

DOI:10.1073/pnas.0909133107

Reference yield: 91.0%

4-hydroxysalicylic acid (89-86-1) → 5-bromo-4-hydroxysalicylic acid (7355-22-8) + 3,5-dibromo-4-hydroxysalicylic acid (3147-46-4)

Guidance literature:

With bromine; In acetic acid; at 25 ℃; for 4h;

DOI:10.1016/S0040-4020(03)00862-7

upstream raw materials:

4-hydroxysalicylic acid

4-Bromoresorcinol

carbon dioxide

Downstream raw materials:

5-bromo-2,4-dihydroxy-3-morpholinomethyl-benzoic acid

5-bromo-3-butyryl-2,4-dihydroxy-benzoic acid

5-bromo-4-butyryloxy-2-hydroxy-benzoic acid

4-Bromoresorcinol