3-Bromo-5-chlorobenzene-1,2-diol

Base Information

• Chemical Name: 3-Bromo-5-chlorobenzene-1,2-diol
• CAS No.: 180995-18-0
• Molecular Formula: C6H4BrClO2
• Molecular Weight: 223.454
• DSSTox Substance ID: DTXSID60590871
• Wikidata: Q82484489
• Mol file: 180995-18-0.mol

Synonyms:3-Bromo-5-chlorobenzene-1,2-diol;180995-18-0;3-Bromo-5-chloro-benzene-1,2-diol;1,2-Benzenediol, 3-bromo-5-chloro-;3-bromo-5-chlorocatechol;SCHEMBL264625;DTXSID60590871;CZDVOQBFSGTTEI-UHFFFAOYSA-N;3-Bromo-5-chloro-1,2-benzenediol;MFCD23701700;SY299569;DB-099151;CS-0267965;EN300-343150;A1-02103

Chemical Property of 3-Bromo-5-chlorobenzene-1,2-diol

Chemical Property:

• XLogP3: 2.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 221.90832
• Heavy Atom Count: 10
• Complexity: 122

Purity/Quality:

98.5% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 3-Bromo-5-chlorobenzene-1,2-diol

There total 1 articles about 3-Bromo-5-chlorobenzene-1,2-diol 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:

C7H4BrClO3 → 3-Bromo-5-chloro-benzene-1,2-diol (180995-18-0)

Guidance literature:

With methanol; sodium hydrogencarbonate; at 20 ℃; for 3h;

Reference yield: 60.0%

3-Bromo-5-chloro-benzene-1,2-diol (180995-18-0) + ethylene dibromide (106-93-4) → 5-bromo-7-chloro-2,3-dihydro-benzo[1,4]dioxine (936249-25-1)

Guidance literature:

With sodium hydroxide; tetrabutylammomium bromide; In water; Heating / reflux;

Reference yield:

3-Bromo-5-chloro-benzene-1,2-diol (180995-18-0) → (7-Chloro-2,3-dihydro-1,4-benzodioxin-5-yl)boronic acid (936249-26-2)

Guidance literature:

Multi-step reaction with 3 steps

1.1: sodium hydroxide / tetrabutylammomium bromide / water / Heating / reflux

2.1: n-butyllithium / diethyl ether; hexane / 1 h / -70 °C

2.2: 20 °C

3.1: sodium hydroxide; water

3.2: pH 2

With sodium hydroxide; n-butyllithium; water; tetrabutylammomium bromide; In diethyl ether; hexane; water;

Downstream raw materials:

5-bromo-7-chloro-2,3-dihydro-benzo[1,4]dioxine

(7-Chloro-2,3-dihydro-1,4-benzodioxin-5-yl)boronic acid