2,3-Dibromobenzene-1-thiol

Base Information

• Chemical Name: 2,3-Dibromobenzene-1-thiol
• CAS No.: 126190-14-5
• Molecular Formula: C₆H₄Br₂S
• Molecular Weight: 267.972
• DSSTox Substance ID: DTXSID60561905
• Wikidata: Q82445832

Synonyms:126190-14-5;2,3-Dibromobenzene-1-thiol;SCHEMBL1951804;DTXSID60561905

Chemical Property of 2,3-Dibromobenzene-1-thiol

Chemical Property:

• XLogP3: 3.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 267.83800
• Heavy Atom Count: 9
• Complexity: 97.1

Purity/Quality:

99.90% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C(=C1)Br)Br)S

Technology Process of 2,3-Dibromobenzene-1-thiol

There total 2 articles about 2,3-Dibromobenzene-1-thiol 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:

C12H6Br4S2 (126190-15-6) → 2,3-Dibromothiophenol (126190-14-5)

Guidance literature:

With sodium tetrahydroborate; In ethanol; for 1h;

DOI:10.1021/jo00296a034

Reference yield:

3-amino-1,2-dibromobenzene (608-22-0) + potassium ethyl xanthogenate (140-89-6) → 2,3-Dibromothiophenol (126190-14-5) + Dithiocarbonic acid S-(2,3-dibromo-phenyl) ester O-ethyl ester (126190-13-4)

Guidance literature:

Yield given. Multistep reaction. Yields of byproduct given;

DOI:10.1021/jo00296a034

Reference yield: 36.0%

N-Acetamidoacrylic acid (5429-56-1) + 2,3-Dibromothiophenol (126190-14-5) → S-(2,3-Dibromophenyl)mercapturic acid (126189-99-9)

Guidance literature:

With piperidine; In 1,4-dioxane; for 3h; Heating;

DOI:10.1021/jo00296a034

upstream raw materials:

3-amino-1,2-dibromobenzene

potassium ethyl xanthogenate

C₁₂H₆Br₄S₂

Downstream raw materials:

S-(2,3-Dibromophenyl)mercapturic acid

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