4-(4-Bromobenzene-1-sulfonyl)benzohydrazide

Base Information

• Chemical Name: 4-(4-Bromobenzene-1-sulfonyl)benzohydrazide
• CAS No.: 20721-09-9
• Molecular Formula: C13H11BrN2O3S
• Molecular Weight: 355.20700
• DSSTox Substance ID: DTXSID10540629
• Wikidata: Q82416690
• Mol file: 20721-09-9.mol

Synonyms:20721-09-9;4-(4-Bromophenyl)sulfonylbenzohydrazide;4-(4-Bromobenzene-1-sulfonyl)benzohydrazide;Benzoic acid, 4-[(4-bromophenyl)sulfonyl]-, hydrazide;DTXSID10540629;4-((4-Bromophenyl)sulfonyl)benzohydrazide;A1-05406

Chemical Property of 4-(4-Bromobenzene-1-sulfonyl)benzohydrazide

Chemical Property:

• PSA: 97.64000
• LogP: 4.05740
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 353.96738
• Heavy Atom Count: 20
• Complexity: 433

Purity/Quality:

4-(4-Bromophenyl)sulfonylbenzohydrazide 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C(=O)NN)S(=O)(=O)C2=CC=C(C=C2)Br

Technology Process of 4-(4-Bromobenzene-1-sulfonyl)benzohydrazide

There total 7 articles about 4-(4-Bromobenzene-1-sulfonyl)benzohydrazide 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%

4-(4-bromo-benzenesulfonyl)-benzoic acid (96462-91-8) → p-(4-Bromophenylsulphonyl) benzoic acid hydrazide (20721-09-9)

Guidance literature:

With hydrazine; In ethanol;

DOI:10.1016/j.ejmech.2009.03.016

Reference yield:

bromobenzene (108-86-1,52753-63-6) → p-(4-Bromophenylsulphonyl) benzoic acid hydrazide (20721-09-9)

Guidance literature:

Multi-step reaction with 4 steps

1: aluminum (III) chloride

2: chromium(VI) oxide; acetic acid

3: sulfuric acid

4: hydrazine hydrate

With chromium(VI) oxide; aluminum (III) chloride; sulfuric acid; hydrazine hydrate; acetic acid;

DOI:10.1016/j.ejmech.2012.01.031

Reference yield:

1-bromo-4-tosylbenzene (5184-70-3) → p-(4-Bromophenylsulphonyl) benzoic acid hydrazide (20721-09-9)

Guidance literature:

Multi-step reaction with 3 steps

1: chromium(VI) oxide; acetic acid

2: sulfuric acid

3: hydrazine hydrate

With chromium(VI) oxide; sulfuric acid; hydrazine hydrate; acetic acid;

DOI:10.1016/j.ejmech.2012.01.031

upstream raw materials:

4-(4-bromo-benzenesulfonyl)-benzoyl chloride

4-(4-bromo-benzenesulfonyl)-benzoic acid

bromobenzene

1-bromo-4-tosylbenzene

Downstream raw materials:

5-p-(p-bromophenylsulphonyl)phenyl-3-mercapto-1,2,4-triazole

C₂₂H₂₀BrN₃O₃S₂

C₂₁H₁₈BrN₃O₃S₂

N₁-[4-(4-bromophenylsulfonyl)benzoyl]-N₄-(4-trifluoromethoxyphenyl)-thiosemicarbazide