4-Amino-3,5-dibromobenzenesulfonamide

Base Information

• Chemical Name: 4-Amino-3,5-dibromobenzenesulfonamide
• CAS No.: 39150-45-3
• Molecular Formula: C6H6 Br2 N2 O2 S
• Molecular Weight: 330
• European Community (EC) Number: 254-321-8
• UNII: G88Z5C5E4Z
• DSSTox Substance ID: DTXSID20192395
• Nikkaji Number: J208.300K
• Wikidata: Q83065054
• Pharos Ligand ID: 1RY3SL8KADM1
• ChEMBL ID: CHEMBL306195
• Mol file: 39150-45-3.mol

Synonyms:2,6-dibromosulfanilamide

Chemical Property of 4-Amino-3,5-dibromobenzenesulfonamide

Chemical Property:

• Vapor Pressure: 1.4E-08mmHg at 25°C
• Melting Point: 235-237°C
• Boiling Point: 458.2°Cat760mmHg
• PKA: 9.57±0.60(Predicted)
• Flash Point: 230.9°C
• PSA: 94.56000
• Density: 2.156g/cm³
• LogP: 3.80350
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 329.84962
• Heavy Atom Count: 13
• Complexity: 265

Purity/Quality:

99%, ^*data from raw suppliers

4-Amino-3,5-dibromobenzenesulfonamide ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

Useful:

• Canonical SMILES: C1=C(C=C(C(=C1Br)N)Br)S(=O)(=O)N

Technology Process of 4-Amino-3,5-dibromobenzenesulfonamide

There total 9 articles about 4-Amino-3,5-dibromobenzenesulfonamide 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%

sulfanilamide (63-74-1) → 3,5-dibromosulfanilamide (39150-45-3)

Guidance literature:

With bromine; calcium bromide; In water; at 25 ℃; for 0.25h; regioselective reaction;

DOI:10.1039/c1gc15359e

Reference yield:

4-amino-3-bromo-benzenesulfonamide (53297-69-1) → 3,5-dibromosulfanilamide (39150-45-3)

Guidance literature:

With bromine; acetic acid;

Reference yield:

N-acetyl-2-bromoaniline (614-76-6) → 3,5-dibromosulfanilamide (39150-45-3)

Guidance literature:

Multi-step reaction with 4 steps

1: chlorosulfonic acid / 4 h / 80 - 85 °C

2: aq. NH₄OH / 0.5 h / 70 °C

3: aq. HCl / 0.75 h / Heating

4: aq. HBr; H₂O₂ / 2 h / 85 °C

With hydrogenchloride; chlorosulfonic acid; ammonium hydroxide; hydrogen bromide; dihydrogen peroxide;

DOI:10.1021/jm021123s

upstream raw materials:

4-amino-3-bromo-benzenesulfonamide

sulfanilamide

bromine

acetic acid

Downstream raw materials:

4-amino-3,5-dibromo-N-isopropylbenzenesulfonamide

C₄₅H₄₃ClN₂O₂Pd

C₅₁H₅₅ClN₂Pd

C₄₄H₄₀N₂O₂

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