3-Bromo-5-hydroxybenzaldehyde

Base Information

• Chemical Name: 3-Bromo-5-hydroxybenzaldehyde
• CAS No.: 199177-26-9
• Molecular Formula: C7H5BrO2
• Molecular Weight: 201.019
• Hs Code.: 2913000090
• European Community (EC) Number: 894-863-8
• DSSTox Substance ID: DTXSID90586363
• Nikkaji Number: J1.214.848H
• Wikidata: Q82478476
• Mol file: 199177-26-9.mol

Synonyms:3-BROMO-5-HYDROXYBENZALDEHYDE;199177-26-9;5-BROMO-3-HYDROXYBENZALDEHYDE;Benzaldehyde, 3-bromo-5-hydroxy-;MFCD06797981;SCHEMBL668005;DTXSID90586363;XVFGERBEZKEGSS-UHFFFAOYSA-N;CL9184;AKOS005068132;AB29745;AM84277;CS-W005146;GS-6020;SY108236;3-Bromo-5-hydroxybenzaldehyde, AldrichCPR;DB-339236;EN300-316689;A879935;Z1269206565

Chemical Property of 3-Bromo-5-hydroxybenzaldehyde

Chemical Property:

• Melting Point: 134-138 °C
• Boiling Point: 292.0±20.0 °C(Predicted)
• PKA: 8.28±0.10(Predicted)
• PSA: 37.30000
• Density: 1.737±0.06 g/cm3(Predicted)
• LogP: 1.96720
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 199.94729
• Heavy Atom Count: 10
• Complexity: 127

Purity/Quality:

97% ^*data from raw suppliers

3-Bromo-5-hydroxybenzaldehyde ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C=C(C=C1O)Br)C=O

Technology Process of 3-Bromo-5-hydroxybenzaldehyde

There total 10 articles about 3-Bromo-5-hydroxybenzaldehyde 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: 80.0%

3-bromo-5-(1,3-dioxolan-2-yl)aniline (936844-19-8) → 3-bromo-5-hydroxybenzaldehyde (199177-26-9)

Guidance literature:

With sulfuric acid; acetic acid; sodium nitrite; In water; at 0 ℃; for 3h; Reflux;

DOI:10.1016/j.ejmech.2016.03.054

Reference yield: 60.0%

3-bromo-5-hydroxybenzyl alcohol (1020336-51-9) → 3-bromo-5-hydroxybenzaldehyde (199177-26-9)

Guidance literature:

With pyridinium chlorochromate; In dichloromethane; at 0 - 20 ℃; for 3.5h;

DOI:10.1021/jm301588r

Reference yield: 50.12%

3,5-dibromophenol (626-41-5) + N,N-dimethyl-formamide (68-12-2,33513-42-7) → 3-bromo-5-hydroxybenzaldehyde (199177-26-9)

Guidance literature:

3,5-dibromophenol; With n-butyllithium; In tetrahydrofuran; at -78 ℃; for 0.583333h;

N,N-dimethyl-formamide; In tetrahydrofuran; at -78 - 20 ℃; for 1.5h;

upstream raw materials:

3-bromo-5-[1,3]dioxolan-2-yl-phenol

3-bromo-5-(1,3-dioxolan-2-yl)aniline

2-(3-bromo-5-nitrophenyl)-1,3-dioxolane

3-bromo-5-nitrobenzaldehyde

Downstream raw materials:

C₈H₈BrN₃OS

3-bromo-5-{2-[2-(2-methoxyethoxy)ethoxy]ethoxy}benzaldehyde

2-(3-bromo-5-{2-[2-(2-methoxyethoxy)ethoxy]ethoxy}phenyl)-1,3-dioxolane

2-(3-ethynyl-5-{2-[2-(2-methoxyethoxy)ethoxy]ethoxy}phenyl)-1,3-dioxolane