Benzenesulfonic acid, 3,5-dibromo-4-nitroso-

Base Information

• Chemical Name: Benzenesulfonic acid, 3,5-dibromo-4-nitroso-
• CAS No.: 83016-63-1
• Molecular Formula: C6H3 Br2 N O4 S
• Molecular Weight: 344.968
• Hs Code.: 2904909090
• DSSTox Substance ID: DTXSID201003069
• Nikkaji Number: J387.251C
• Wikidata: Q82997473
• Mol file: 83016-63-1.mol

Synonyms:3,5-dibromo-4-nitrosobenzenesulfonate;DBNBS

Chemical Property of Benzenesulfonic acid, 3,5-dibromo-4-nitroso-

Chemical Property:

• PSA: 95.01000
• Density: 2.37g/cm³
• LogP: 3.59440
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 344.81290
• Heavy Atom Count: 14
• Complexity: 302

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Benzenesulfonic acid, 3,5-dibromo-4-nitroso-

There total 1 articles about Benzenesulfonic acid, 3,5-dibromo-4-nitroso- 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: 92.0%

3,5-dibromosulfanilic acid (78824-10-9) → 3,5-dibromo-4-nitrosobenzene sulfonic acid (83016-63-1)

Guidance literature:

With 4-nitroperbenzoic acid; In water; for 48h; Ambient temperature;

Reference yield:

2-hydroxy-3-butene (598-32-3) + 3,5-dibromo-4-nitrosobenzene sulfonic acid (83016-63-1) → C10H9Br2NO5S(1-)

Guidance literature:

In acetonitrile; at -27.1 ℃; Irradiation;

DOI:10.1021/jo9812678

Reference yield:

2-methyl-3-buten-2-ol (115-18-4) + 3,5-dibromo-4-nitrosobenzene sulfonic acid (83016-63-1) → C11H11Br2NO5S(1-)

Guidance literature:

In acetonitrile; at -27.1 ℃; Irradiation;

DOI:10.1021/jo9812678

upstream raw materials:

3,5-dibromosulfanilic acid

Downstream raw materials:

C₇H₆Br₂NO₅S

C₈H₈Br₂NO₅S

C₁₀H₈Br₂NO₆S

C₁₀H₁₀Br₂NO₇S

Refernces

Sonochemistry of Alcohol-Water Mixtures: Spin-Trapping Evidence for Thermal Decomposition and Isotope-Exchange Reactions

10.1021/j100350a029

The study investigates the sonochemistry of argon-saturated water-alcohol mixtures using ESR and spin trapping with 3,5-dibromo-4-nitrosobenzenesulfonate (DBNBS). It examines free-radical intermediates induced by 50-kHz ultrasound in aqueous solutions of ethanol, 1-propanol, 2-propanol, and 2-methyl-2-propanol. The chemicals involved include various alcohols (ethanol, 1-propanol, 2-propanol, 2-methyl-2-propanol, methanol), water (H2O), deuterated water (D2O), and DBNBS as the spin trap. The alcohols serve as the primary solutes under investigation, while water and deuterated water act as solvents and provide isotopic labeling for tracking reactions. DBNBS is crucial for capturing and identifying radicals formed during sonolysis through its spin adducts. The study identifies spin adducts typical of thermal decomposition of the alcohols and of H- and OH-induced abstraction reactions, observes isotopically mixed radicals in mixed-isotope systems, and examines the effects of solvent composition and temperature on the sonochemical yields of radicals.