2-bromobenzenesulfonic Acid

Base Information

• Chemical Name: 2-bromobenzenesulfonic Acid
• CAS No.: 576-92-1
• Molecular Formula: C6H5BrO3S
• Molecular Weight: 237.074
• DSSTox Substance ID: DTXSID30276130
• Wikidata: Q72451542
• Mol file: 576-92-1.mol

Synonyms:2-bromobenzenesulfonic Acid;576-92-1;2-Bromo-benzenesulfonic acid;bromobenzenesulfonic acid;SCHEMBL122413;DTXSID30276130;AKOS015940090;AM100979;FT-0718121

Chemical Property of 2-bromobenzenesulfonic Acid

Chemical Property:

• PKA: -1.11±0.15(Predicted)
• PSA: 62.75000
• Density: 1.846
• LogP: 2.77660
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 235.91428
• Heavy Atom Count: 11
• Complexity: 219

Purity/Quality:

98%Min ^*data from raw suppliers

2-BROMO-BENZENESULFONIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-bromobenzenesulfonic Acid

There total 31 articles about 2-bromobenzenesulfonic Acid 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:

p-bromobenzene sulfonic acid (138-36-3) → bromobenzene-2-sulfonic acid (576-92-1) + 3-bromobenzene-1-sulfonic acid (22033-09-6)

Guidance literature:

With sulfuric acid; at 150 ℃; Rate constant;

Reference yield:

N-(2-bromobenzenesulfonyl)-N-acetyloxy-2,2-dimethylacetamide (1352414-77-7) → bromobenzene-2-sulfonic acid (576-92-1) + N-acetyloxy-2-bromobenzenesulfonamide (1310366-71-2) + C10H12BrNO4S (1311417-72-7) + acetic acid (64-19-7,77671-22-8) + isobutyric Acid (79-31-2)

Guidance literature:

With water; In tetrahydrofuran; at 37 ℃; pH=7.4; aq. phosphate buffer;

DOI:10.1021/ol203016c

Reference yield:

N-hydroxy-N-(2,2,2-trimethylacetyl)-2-bromobenzenesulfonamide (1352414-90-4) → bromobenzene-2-sulfonic acid (576-92-1) + C11H14BrNO4S (1311417-12-5) + Trimethylacetic acid (75-98-9)

Guidance literature:

With water; In tetrahydrofuran; at 37 ℃; pH=7.4; aq. phosphate buffer;

DOI:10.1021/ol203016c

upstream raw materials:

3-bromobenzene-1-sulfonic acid

p-bromobenzene sulfonic acid

N-(2-bromobenzenesulfonyl)-N-acetyloxy-acetamide

N-(2-bromobenzenesulfonyl)-N-acetyloxy-2,2-dimethylacetamide

Downstream raw materials:

(E)-1-bromo-2-(styrylsulfonyl)benzene

N-benzyl 2-bromobenzenesulfonamide

2-bromo-N-phenylbenzenesulfonamide

N-allyl-2-bromo-N-methylbenzenesulfonamide

Refernces

• 1、 Krylov, E. N.,Volgina, L. V.,Isaeva, G. Yu.. "HYDROLYSIS OF AROMATIC SULFONIC ACIDS UNDER THERMODYNAMIC CONTROL OF THE REACTION". . p. 1129 - 1133. Retrieved 2007/10/02.